Geologic chemical transport framework

Abstract

A method can include receiving input for a field scenario that comprises fluid dynamics and chemical phenomena, where the input defines substances amenable to speciation; executing a fluid dynamics simulator to perform timesteps for transport of the substances while calling a chemical phenomena framework that determines speciation of the substances; and generating results for the field scenario based on the executing.

Description

GEOLOGIC CHEMICAL TRANSPORT FRAMEWORKRELATED APPLICATIONS

[0001] This application claims priority to and the benefit of a US Provisional Application having Serial No. 63 / 542,940, filed 6 October 2023, which is incorporated by reference herein in its entirety.BACKGROUND

[0002] In various fluid operations that involve one or more wells that extend into one or more subsurface, geologic formations, chemical transport phenomena can be quite complex. For example, consider a fluid operation that introduces carbon dioxide (CO2) into a subsurface, geologic formation such as a reservoir that contains water (H2O). In such an example, the CO2 may be sequestered by one or more processes such as, for example, mineral trapping, solubility trapping and volumetric trapping. In mineral trapping, injected CO2 can react with H2O to form carbonic acid (H2CO3), which is a weak acid that can dissociates into hydrogen ions (H+) and bicarbonate ions (HCO3-). This weak acid can react with reservoir rock such that mineral generation occurs (e.g., solid carbonate minerals, etc.) that effectively traps some amount of injected CO2. Mineral trapping may also be referred to as mineral sequestration or carbonation, which may effectively convert CO2 and magnesium- or calcium-rich minerals (e.g., wollastonite, olivine and serpentine) to stable mineral carbonates thereby sequestering CO2. As to solubility trapping, CO2 may dissolve in brine (e.g., water with dissolved salts). As to volumetric trapping, CO2 may become trapped in pore spaces of subsurface rock.

[0003] Various types of chemical transport phenomena may affect fluid transport. For example, as CO2 is injected into a well, H2O in brine can evaporate into the CO2 resulting in “dry-out” in a near-wellbore region of the injection well as residual water saturation can reduce to near zero. While such a reduction in residual water saturation may increase the effective permeability to CO2 and, hence, increase injectivity, to the contrary, in the presence of high-salinity brine, there may be a substantial risk of “salting-out” as H2O evaporates, which can increase salinity and lead to halite precipitation and, hence, reduced permeability and porosity such thatinjectivity decreases. As to the latter phenomenon, it may diminish efficiency of sequestration of further amounts of CO2.

[0004] Modelling and simulation of fluid flow in a subsurface region can assist with reservoir characterization, field development planning, monitoring, and operations. In various instances, a model may be a digital twin of a subsurface region and, for example, associated field equipment. Fidelity of a digital twin may be increased by increasing its ability to handle various types of real-world phenomena. However, increased abilities can carry performance costs, which may impact ability to converge to a realistic solution, computation demands, time demands, input demands, etc. An execution run of a framework-based simulator can be a time-bound activity. If results of a run are unreliable or otherwise lack relevance to a realistic field operation, the run can be a waste; whereas, if the results of a run are sufficiently accurate, a realistic field operation may be qualified, optimized, controlled, etc., based on the results. As an example, a geologic chemical transport framework can provide for generation of sufficiently accurate results that may be utilized for one or more purposes.SUMMARY

[0005] A method can include receiving input for a field scenario that comprises fluid dynamics and chemical phenomena, where the input defines substances amenable to speciation; executing a fluid dynamics simulator to perform timesteps for transport of the substances while calling a chemical phenomena framework that determines speciation of the substances; and generating results for the field scenario based on the executing. A system can include one or more processors; a memory accessible to at least one of the one or more processors; processor-executable instructions stored in the memory and executable to instruct the system to: receive input for a field scenario that comprises fluid dynamics and chemical phenomena, where the input defines substances amenable to speciation; execute a fluid dynamics simulator to perform timesteps for transport of the substances while calling a chemical phenomena framework that determines speciation of the substances; and generate results for the field scenario based on the execution of the fluid dynamics simulator. One or more computer-readable storage media can include processor-executable instructions to instruct a computing system to: receive input for a field scenario thatcomprises fluid dynamics and chemical phenomena, where the input defines substances amenable to speciation; execute a fluid dynamics simulator to perform timesteps for transport of the substances while calling a chemical phenomena framework that determines speciation of the substances; and generate results for the field scenario based on the execution of the fluid dynamics simulator. Various other apparatuses, systems, methods, etc., are also disclosed.

[0006] This summary is provided to introduce a selection of concepts that are further described below in the detailed description. This summary is not intended to identify key or essential features of the claimed subject matter, nor is it intended to be used as an aid in limiting the scope of the claimed subject matter.BRIEF DESCRIPTION OF THE DRAWINGS

[0007] Features and advantages of the described implementations can be more readily understood by reference to the following description taken in conjunction with the accompanying drawings.

[0008] FIG. 1 illustrates an example system that includes various framework components associated with one or more geologic environments;

[0009] FIG. 2 illustrates examples of a basin and a system;

[0010] FIG. 3 illustrates an example of a system;

[0011] FIG. 4 illustrates an example of a system;

[0012] FIG. 5 illustrates an example of a system;

[0013] FIG. 6 illustrates an example of a matrix;

[0014] FIG. 7 illustrates an example of a plot;

[0015] FIG. 8 illustrates an example of a plot;

[0016] FIG. 9 illustrates examples of equations;

[0017] FIG. 10 illustrates examples of pseudo-code;

[0018] FIG. 11 illustrates examples of pseudo-code;

[0019] FIG. 12 illustrates an example of a scenario;

[0020] FIG. 13 illustrates an example of a scenario;

[0021] FIG. 14 illustrates an example of a scenario;

[0022] FIG. 15 illustrates an example of a scenario;

[0023] FIG. 16 illustrates an example of a scenario;

[0024] FIG. 17 illustrates an example of a scenario;

[0025] FIG. 18 illustrates an example of a scenario;

[0026] FIG. 19 illustrates an example of a plot;

[0027] FIG. 20 illustrates examples of a system;

[0028] FIG. 21 illustrates an example of a scenario;

[0029] FIG. 22 illustrates an example of a method and an example of a system; and

[0030] FIG. 23 illustrates examples of computer and network equipment.DETAILED DESCRIPTION

[0031] This description is not to be taken in a limiting sense, but rather is made merely for the purpose of describing the general principles of the implementations. The scope of the described implementations should be ascertained with reference to the issued claims.

[0032] As explained, a geologic chemical transport framework can provide for generating results for one or more types of field operations that can involve various types of chemical transport phenomena. As explained, such phenomena can include reactive transport of chemicals and chemical elements, which tends to be a relatively complex as it can demand accounting for associated physics that describe how multiple substances present in a subsurface region flow and may be converted from one substance to another, for example, acting as reactants or products. Solving for reactions and flow (e.g., in a coupled manner) tends to be challenging and, at times, impractical (e.g., due to issues involving one or more of convergence, time, resources, etc.).

[0033] As an example, a geologic chemical transport framework can account for one or more types of chemistry. For example, consider geochemistry and particularly geochemical reactive transport phenomena. As explained, field operations that aim to sequester CO2 can involve geochemistry and geochemical reactive transport phenomena. As explained, different substances present in a reservoir and / or injected into a reservoir (e.g., water, dissolved brine, hydrocarbons, CO2, etc.) may interact with each other and may interact with minerals present in a reservoir (e.g., as in reservoir fluid, reservoir rock, etc.). Complex interactions may exist that can cause dissolution and / or precipitation of rock material. As explained, CO2 sequestration mayinvolve injecting CO2 into a subsurface region with an aim of permanently storing it as part of a mineral.

[0034] While various examples mention CO2, one or more other types of field operations can involve chemical transport phenomena. For example, consider one or more types of enhanced oil recovery (EOR) operations, which may involve injection of water, injection of chemicals (e.g., acid, surfactant, etc.), etc. As an example, where a breakthrough occurs in a subsurface region, fluid from one compartment may enter another compartment. In such an example, differences in fluid composition and / or rock composition may result in chemical transport phenomena being relevant. As an example, a breakthrough may occur for one or more reasons, for example, consider a spill-point type of breakthrough, a drilling type of breakthrough, a hydraulic fracturing type of breakthrough, a natural seismic event type of breakthrough (e.g., an earthquake), etc. Hence, various scenarios exist that may involve chemical transport phenomena where, for example, a geologic chemical transport framework can model such phenomena and generate relevant results.

[0035] As to CO2 injection processes for sequestration, in various instances a relatively high permeability, porous formation may be utilized where, for example, CO2 may be injected in a supercritical state and / or other state. Sequestration may aim to assure relatively leak free storage for an extended period of time (e.g., a hundred years or more). As to types of CO2 leaks, these may be classified as physical and / or chemical. As an example, geomechanical phenomena may be of concern as to risk of leaks. For example, during CO2 injection and / or storage, one or more of excessive stress, fault activation, wellbore damage, caprock issues, etc., may occur. Such risks may be more accurately ascertained through coupling of a geochemistry framework (e.g., libraries, etc.) and a fluid dynamics framework and, for example, a geomechanics framework. As an example, such an approach may provide for improved assessment of geomechanics, which may relate to one or more of CO2 trapping, stress, caprock, wellbore, induced seismicity, geochemical solids formation and / or dissolution, etc.

[0036] As to geochemistry, one or more of various specialized frameworks may be included in and / or operatively coupled to a geologic chemical transport framework. For example, consider PHREEQC framework, which can provide a variety of aqueous geochemical computations using models such as several types of aqueous modelsincluding two ion-association aqueous models. PHREEQC can provide for speciation, batch-reaction, one-dimensional transport, and inverse geochemical computations.

[0037] More specifically, PHREEQC has capabilities for (1) speciation and saturation-index calculations; (2) batch-reaction and one-dimensional (1 D) transport calculations with reversible and irreversible reactions, which include aqueous, mineral, gas, solid-solution, surface-complexation, and ion-exchange equilibria, and specified mole transfers of reactants, kinetically controlled reactions, mixing of solutions, and pressure and temperature changes; and (3) inverse modeling, which finds sets of mineral and gas mole transfers that account for differences in composition between waters within specified compositional uncertainty limits. The Pitzer aqueous model (pitzer.dat database, with keyword PITZER) can be used for high-salinity waters that are beyond the range of application for the Debye-Huckel theory. The Peng-Robinson EOS has been implemented for calculating the solubility of gases at high pressure. Specific volumes of aqueous species are calculated as a function of the dielectric properties of water and the ionic strength of the solution, which allows calculation of pressure effects on chemical reactions and the density of a solution. The specific conductance and the density of a solution are calculated and printed in the output file. In addition to Runge-Kutta integration, a stiff ordinary differential equation solver (CVODE) is included for kinetic calculations with multiple rates that occur at widely different time scales. Surface complexation can be calculated with the CD-MUSIC (Charge Distribution MUItiSIte Complexation) triple-layer model in addition to the diffuse-layer model. The composition of the electrical double layer of a surface can be estimated by using the Donnan approach, which tends to be more robust and faster than the alternative Borkovec-Westall integration. Multicomponent diffusion, diffusion in the electrostatic double layer on a surface, and transport of colloids with simultaneous surface complexation are included in the transport module.

[0038] A document entitled “Description of input and examples for PHREEQC version 3: a computer program for speciation, batch-reaction, one-dimensional transport, and inverse geochemical calculations”, Techniques and Methods 6-A43, Chapter 43 of Section A: Groundwater in Book 6 Modeling Techniques, by David L. Parkhurst and C.A.J. Appelo, https: / / doi.org / 10.3133 / tm6A43 (2013), is incorporated by reference herein in its entirety.

[0039] As another example, consider the REAKTORO framework, which includes capabilities for chemical equilibrium and kinetics, which can be space independent. REAKTORO can provide for coupling for purposes of modeling transport processes (e.g., advection, diffusion, etc.) combined with chemical reactive processes, via chemical transport (or reactive transport) simulations. For example, REAKTORO may be used in other codes for reactive transport modeling via splitting of mass transport and chemical reaction computations such that a dedicated and transport solver may be combined with REAKTORO solvers for chemical reaction computations. In a coupled approach for REAKTORO, updated amounts of elements in a cell can be evaluated for its new chemical equilibrium state, thus producing new amounts of the species in both the fluid and solid phases (e.g., as available in a list states of so-called ChemicalState objects). Such a chemical reaction equilibrium calculation step, at each mesh cell, permits, for example, aqueous species and minerals to react, and thus causes mineral dissolution or precipitation, depending on how much the amount of mineral species changes. This can then be used, for example, to compute new porosity value for the cell.

[0040] The foregoing REAKTORO approach uses reactive transport calculations that involve the solution of a system of advection-diffusion-reaction equations. Due to the use of an operator splitting scheme, the transport equations are solved and followed by performing the chemical reaction calculations for each cell before proceeding to the next time step. In such an approach, a transport function is responsible for solving an advection-diffusion equation, that is later applied to transport the concentrations (mol / m3) of elements in the fluid partition (a simplification that is possible because of common diffusion coefficients and velocities of the fluid species, otherwise the transport of individual fluid species would be needed).

[0041] As explained, various frameworks can provide for generating results as to chemical phenomena and various frameworks can provide for generating results as to fluid dynamics (e.g., fluid mechanics). Such frameworks demand relatively detailed inputs, which can include inputs as to chemistry, material properties, geometries, initial conditions, boundary conditions, dynamics, statics, etc.

[0042] As to various frameworks for fluid dynamics, substances to be considered may be described in their stable forms. For example, consider sodium chloride (NaCI), which may be described for purposes of input as a unitary substancerather than two ions (e.g., Na+ and CI-). In contrast, various frameworks for chemical phenomena, substances to be considered may be described as sub-components, which may include elements, whether in ionic or another form. For example, consider NaCI with respect to one or more geochemical processes where NaCI is described in an ionic form as two different ionic species Na+ and CI-, which may be referred to generally as speciation.

[0043] As an example, a framework can provide for generating results for a coupled reactive transport system, which can involve chemical phenomena and fluid dynamics. In such an example, the framework an generate a user interface via a user interface component, which may demand relatively little information for purposes of setting up a scenario. In such an example, a graphical user interface (GUI) may be generated and rendered to a display for input and visual assessment of reactive behavior with transport. Such a GUI may include one or more features for generation of graphics, which may be in the form of plots, graphs, model-based structures, data- based structures (e.g., seismic data, log data, imagery, etc.), etc.

[0044] As an example, a framework can include one or more components that can convert to and from substances and species as required by type of solver, which may be logically disposed between fluid dynamics code and chemical phenomena code. Such one or more components may be referred to as a converter component and / or a transformer component, which may operate in an agnostic manner to chemical phenomena code such that one or more types of chemical phenomena frameworks and / or one or more sources of data may be utilized. For example, consider a converter that can take a variety of forms, which may range from a database to a numerical package to another type of model-based construct.

[0045] As an example, a framework can include a reader component that can provide for consuming output from a chemical phenomena framework and performantly accounting this information into a fluid dynamics framework where the reader component may also operate to pass back one or more states to the chemical phenomena framework (e.g., consider new states as determined by solving one or more systems of equations for fluid transport, etc.).

[0046] As an example, a framework may generate, via one or more GUI components, reports (e.g., plots, etc.) that can be rendered to a display as part of a dashboard, which may facilitate assessment of subsurface behavior. For example,consider a framework that can generate indicators, highlight one or more issues or potential issues, etc., with regards to impact of reactions and chemical transport.

[0047] As an example, a framework may include and / or be operatively coupled to one or more other frameworks. As an example, a framework may provide a computational environment in which operations of frameworks may be coordinated and combined. As an example, a framework may provide for one or more workflows, which may include one or more workflows that allow a user to setup and run reactivetransport simulations with minimum user input while maintaining accuracy as to physics and chemistry (e.g., reservoir fluid dynamics and geochemistry, etc.).

[0048] As an example, a framework can provide for a reduction in the number of thermodynamic components that are modeled within a numerical simulator, which are advected, while maintaining a fully speciated and consistent chemical system. Such an approach can reduce computational costs of running one or more numerical simulators while resolving chemistry to a desired level of accuracy.

[0049] As an example, a framework may provide for generating results for one or more types of scenarios, which may include energy process scenarios such as, for example, one or more energy processes where CO2 is injected into a subsurface region for purposes of sequestration (e.g., storage, etc.).

[0050] As to carbon capture, utilization, and storage (CCUS), it can facilitate efforts toward greenhouse gas (GHG) emissions to the atmosphere and toward carbon neutrality. As an example, CO2 can be captured from a power station, an industrial source (e.g., cement factory, etc.), from natural gas production, etc. CO2 can be utilized in chemical processes, ranging from fertilizer to food production, and in enhanced oil recovery (EOR) and enhanced gas recovery (EGR), or it can be sequestered in geological structures, including saline aquifers, depleted oil and gas reservoirs, deep coal beds, etc.

[0051] As to reservoirs, a reservoir can be a subsurface formation that can be characterized at least in part by its porosity and fluid permeability. As an example, a reservoir may be part of a basin such as a sedimentary basin. A basin can be a depression (e.g., caused by plate tectonic activity, subsidence, etc.) in which sediments accumulate. As an example, where hydrocarbon source rocks occur in combination with appropriate depth and duration of burial, a petroleum system maydevelop within a basin, which may form a reservoir that includes hydrocarbon fluids (e.g., oil, gas, etc.).

[0052] In various CO2 storage operations, a workflow can integrate aspects of CO2 storage and reservoir technologies. As an example, CO2 storage operations can depend on reservoir capacity (e.g., amount of CO2 that can be stored), reservoir injectivity (e.g., possible injection rates), and reservoir containment (e.g., stability of storage and / or risks of leakage).

[0053] 002 operations can demand an assessment of complex physical and chemical behavior of C02 where, for example, C02 may be a component of a hydrocarbon phase and / or an aqueous phase. Above the critical point (e.g., temperature of 31 degC and pressure of 73.8 bar) pure C02 exists as a supercritical dense state, with gas-like viscosity and liquid-like density; whereas, below the critical point, physical properties can differ (e.g., consider 002 as a gas or a liquid). Where oil is present, injected 002 can become miscible with oil at high pressures. Where water is present, C02 solubility in an aqueous phase can depend on reservoir conditions and brine composition, noting that solubility tends to increase with decreasing temperature and / or with increasing pressure and tends to decrease with increasing brine salinity.

[0054] As an example, 002 injected into a storage site may form a gaseous plume that migrates underground, influenced by pressure gradients, gravity and buoyancy forces. C02 may be trapped in a subsurface environment by one or more of various mechanisms, which may act over different timescales. For example, consider structural trapping where gaseous 002 can be trapped by cap rock and / or structural features (e.g., relevant in injection and post-injection phases while gas is highly mobile); residual trapping where the gas phase is immobilized due to effects of relative permeability and capillary pressure (e.g., relevant in injection and postinjection phases while gas remains mobile); solubility trapping where 002 dissolves into an aqueous phase (e.g., a slower process that can take hundreds or thousands of years to complete); and mineral trapping where acid formed by C02 dissolution reacts with the reservoir rock and mineral generation occurs (e.g., a long-term process that can take many thousands of years to complete).

[0055] As explained, interactions between C02, water, and salts can affect solubility trapping and mineral trapping in the long term along with injectivity due tonear-wellbore behavior. As explained, “dry-out” may occur in a region near an injection well and / or “salting-out” may occur in a region near an injection well. Such phenomena can impact permeability and porosity, which may impact injectivity and hence field operations efficiencies as to efforts to sequester CO2.

[0056] Total CO2 injection from worldwide CCLIS projects continues to grow. To meet future goals, there will be an increase in CO2 storage activities, which will depend on selection of suitable sites, design of injection and monitoring strategies, and effective management of costs and risks.

[0057] To perform one or more CCUS operations, various workflows may be implemented. For example, consider workflows for site selection, appraisal and planning, to operations and surveillance. Workflows can involve assessments as to CO2 projects, ranging from design and construction of observation wells to 4D seismic survey monitoring and dynamic simulation of storage scenarios. 4D seismic involves performing 3D seismic surveys with respect to time, where time is the fourth dimension. The performance of such surveys, and analysis of acquired seismic survey data, demands an understanding of acoustic properties of CO2 and acoustic properties of mixtures of CO2 and hydrocarbons and / or water, particularly within one or more types of rock (e.g., consider saturated rock). With knowledge of such acoustic properties, CO2 storage workflows that integrate reservoir modeling and seismic surveying can be improved. For example, consider a CO2 storage workflow that includes reservoir simulation of injection and storage along with matching simulation results to measured field data and / or 4D seismic survey data (e.g., history matching), which can provide for improved CO2 storage operation planning and execution. Such improvements can pertain to site selection, site preparation, reservoir simulation, sensitivity analysis, seismic survey planning, seismic survey execution, seismic survey interpretation, etc.

[0058] As explained, CO2 may be injected into a subsurface reservoir that includes hydrocarbon fluids or that does not include hydrocarbon fluids (e.g., hydrocarbons). Where hydrocarbons are present, CO2, hydrocarbons, and water can be characterized in various manners. For example, their behavior can be characterized via pressure, volume and temperature analysis (PVT analysis), which can involve analysis of phase diagrams (e.g., phase plots). In a reservoir, variables such as pressure and temperature can differ spatially, which can give rise to differentphases, that may be characterized as gas or liquid phases or, for example, supercritical states where properties may differ from subcritical state properties.

[0059] In a reservoir, fluid may include multiple components such as, for example, a range of hydrocarbons that can be classified according to number of carbon atoms, number of hydrogen atoms, etc. The accumulation of hydrocarbons in a reservoir can be a process that occurs over many years such that at present time (e.g., consider a time span of reservoir exploration, development and production), reservoir fluid may appear to be in an equilibrium state. Upon injection of CO2 into a reservoir, reservoir fluid and CO2 may mix, which can result in subsurface regions of mixed fluids with properties that differ from preexisting reservoir fluids.

[0060] As mentioned, seismic surveys may be performed where seismic energy (e.g., acoustic energy) interacts with rocks and fluids within the rocks. A seismic workflow can involve generation of a velocity model of a subsurface region where the velocity model includes acoustic velocities of one or more types of subsurface rock, which may be fluid saturated with different fluids (e.g., components, compositions, etc.). Accordingly, where CO2 is present and spatially distributed in the subsurface region, which may be in a supercritical state and / or a subcritical state, acoustic velocities can depend on CO2 and its state. Seismic surveying and related analyses (e.g., interpretation, history matching, etc.) can be improved where CO2 is adequately accounted for in a subsurface region.

[0061] In various reservoir simulation workflows, an interactive application such as a PVT application may be utilized. Such workflows can involve analysis of fluid samples, equations of state (EoSs), and estimating fluid variations with respect to depth and / or one or more other dimensions. Where CO2 injection and storage are to be taken into account, as with seismic workflows, CO2 may be spatially distributed in a supercritical state and / or a subcritical state. Reservoir simulation and related analyses (e.g., history matching, production, operational control, etc.) can also be improved where CO2 is adequately accounted for in a subsurface region.

[0062] As explained, seismic workflows and reservoir simulation workflows can be improved by appropriately accounting for CO2, which may be spatially distributed, unmixed and / or mixed, and in a supercritical state and / or a subcritical state. In various examples, a subsurface CO2 operational framework can account for CO2 to improve one or more workflows and associated field operations.

[0063] FIG. 1 shows an example of a system 100 that includes a workspace framework 110 that can provide for instantiation of, rendering of, interactions with, etc., a graphical user interface (GUI) 120. In the example of FIG. 1 , the GU1 120 can include graphical controls for computational frameworks (e.g., applications) 121 , projects 122, visualization 123, one or more other features 124, data access 125, and data storage 126.

[0064] In the example of FIG. 1 , the workspace framework 110 may be tailored to a particular geologic environment such as an example geologic environment 150. For example, the geologic environment 150 may include layers (e.g., stratification) that include a reservoir 151 and that may be intersected by a fault 153. As an example, the geologic environment 150 may be outfitted with a variety of sensors, detectors, actuators, etc. For example, equipment 152 may include communication circuitry to receive and to transmit information with respect to one or more networks 155. Such information may include information associated with downhole equipment 154, which may be equipment to acquire information, to assist with resource recovery, etc. Other equipment 156 may be located remote from a wellsite and include sensing, detecting, emitting or other circuitry. Such equipment may include storage and communication circuitry to store and to communicate data, instructions, etc. As an example, one or more satellites may be provided for purposes of communications, data acquisition, etc. For example, FIG. 1 shows a satellite in communication with the network 155 that may be configured for communications, noting that the satellite may additionally or alternatively include circuitry for imagery (e.g., spatial, spectral, temporal, radiometric, etc.).

[0065] FIG. 1 also shows the geologic environment 150 as optionally including equipment 157 and 158 associated with a well that includes a substantially horizontal portion that may intersect with one or more fractures 159. For example, consider a well in a shale formation that may include natural fractures, artificial fractures (e.g., hydraulic fractures) or a combination of natural and artificial fractures. As an example, a well may be drilled for a reservoir that is laterally extensive. In such an example, lateral variations in properties, stresses, etc. may exist where an assessment of such variations may assist with planning, operations, etc. to develop a laterally extensive reservoir (e.g., via fracturing, injecting, extracting, etc.). As an example, the equipment157 and / or 158 may include components, a system, systems, etc. for fracturing, seismic sensing, analysis of seismic data, assessment of one or more fractures, etc.

[0066] In the example of FIG. 1 , the GUI 120 shows some examples of computational frameworks, including the DRILLPLAN, DRILLOPS, PETREL, TECHLOG, PETROMOD, ECLIPSE, and INTERSECT frameworks (SLB, Houston, Texas), noting that one or more other or alternative frameworks may be utilized.

[0067] The DRILLPLAN framework provides for digital well construction planning and includes features for automation of repetitive tasks and validation workflows, enabling improved quality drilling programs (e.g., digital drilling plans, etc.) to be produced quickly with assured coherency.

[0068] The DRILLOPS framework may execute a digital drilling plan and ensures plan adherence, while delivering goal-based automation. The DRILLOPS framework may generate activity plans automatically individual operations, whether they are monitored and / or controlled on the rig or in town. Automation may utilize data analysis and learning systems to assist and optimize tasks, such as, for example, setting ROP to drilling a stand. A preset menu of automatable drilling tasks may be rendered, and, using data analysis and models, a plan may be executed in a manner to achieve a specified goal, where, for example, measurements may be utilized for calibration. The DRILLOPS framework provides flexibility to modify and replan activities dynamically, for example, based on a live appraisal of various factors (e.g., equipment, personnel, and supplies). Well construction activities (e.g., tripping, drilling, cementing, etc.) may be continually monitored and dynamically updated using feedback from operational activities. The DRILLOPS framework may provide for various levels of automation based on planning and / or re-planning (e.g., via the DRILLPLAN framework), feedback, etc.

[0069] The PETREL framework can be part of the DELFI cognitive E&P environment (SLB, Houston, Texas) for utilization in geosciences and geoengineering, for example, to analyze subsurface data from exploration to production of fluid from a reservoir.

[0070] The TECHLOG framework can handle and process field and laboratory data for a variety of geologic environments (e.g., deepwater exploration, shale, etc.). The TECHLOG framework can structure wellbore data for analyses, planning, etc.

[0071] The PETROMOD framework provides petroleum systems modeling capabilities that can combine one or more of seismic, well, and geological information to model the evolution of a sedimentary basin. The PETROMOD framework can predict if, and how, a reservoir has been charged with hydrocarbons, including the source and timing of hydrocarbon generation, migration routes, quantities, and hydrocarbon type in the subsurface or at surface conditions.

[0072] The ECLIPSE framework provides a reservoir simulator (e.g., as a computational framework) with numerical solutions for fast and accurate prediction of dynamic behavior for various types of reservoirs and development schemes.

[0073] The INTERSECT framework provides a high-resolution reservoir simulator for simulation of detailed geological features and quantification of uncertainties, for example, by creating accurate production scenarios and, with the integration of precise models of the surface facilities and field operations, the INTERSECT framework can produce reliable results, which may be continuously updated by real-time data exchanges (e.g., from one or more types of data acquisition equipment in the field that can acquire data during one or more types of field operations, etc.). The INTERSECT framework can provide completion configurations for complex wells where such configurations can be built in the field, can provide detailed chemical-enhanced-oil-recovery (EOR) formulations where such formulations can be implemented in the field, can analyze application of steam injection and other thermal EOR techniques for implementation in the field, advanced production controls in terms of reservoir coupling and flexible field management, and flexibility to script customized solutions for improved modeling and field management control. The INTERSECT framework, as with the other example frameworks, may be utilized as part of the DELFI cognitive E&P environment, for example, for rapid simulation of multiple concurrent cases. For example, a workflow may utilize one or more of the DELFI on demand reservoir simulation features.

[0074] The aforementioned ECLIPSE and INTERSECT frameworks are provided as examples of frameworks that include reservoir simulators, which may be referred to as fluid dynamics simulators. Fluid dynamics may be modeled using conservation laws, such as, for example, conservation of mass, conservation of linear momentum, and conservation of energy (e.g., the First Law of Thermodynamics). Such an approach may be based on classical mechanics and may be modified inquantum mechanics and general relativity. As an example, a fluid dynamics simulator may employ the Navier-Stokes equations, for example, to express momentum balance for fluids along with conservation of mass. As an example, one or more equations of state may be employed (e.g., relating pressure, temperature, density, etc.). The Navier-Stokes equations arise from applying Newton’s second law to fluid motion, which may be taken together with an assumption that stress in fluid is a sum of a diffusing viscous term (e.g., proportional to a gradient of velocity) and a pressure term; hence, describing viscous flow.

[0075] The aforementioned DELFI environment provides various features for workflows as to subsurface analysis, planning, construction and production, for example, as illustrated in the workspace framework 110. As shown in FIG. 1, outputs from the workspace framework 110 can be utilized for directing, controlling, etc., one or more processes in the geologic environment 150 and, feedback 160, can be received via one or more interfaces in one or more forms (e.g., acquired data as to operational conditions, equipment conditions, environment conditions, etc.).

[0076] In the example of FIG. 1, the visualization features 123 may be implemented via the workspace framework 110, for example, to perform tasks as associated with one or more of subsurface regions, planning operations, constructing wells and / or surface fluid networks, and producing from a reservoir.

[0077] As an example, visualization features can provide for visualization of various earth models, properties, etc., in one or more dimensions. As an example, visualization features can provide for rendering of information in multiple dimensions, which may optionally include multiple resolution rendering. In such an example, information being rendered may be associated with one or more frameworks and / or one or more data stores. As an example, visualization features may include one or more control features for control of equipment, which can include, for example, field equipment that can perform one or more field operations. As an example, a workflow may utilize one or more frameworks to generate information that can be utilized to control one or more types of field equipment (e.g., drilling equipment, wireline equipment, fracturing equipment, etc.).

[0078] As to a reservoir model that may be suitable for utilization by a simulator, consider acquisition of seismic data as acquired via reflection seismology, which finds use in geophysics, for example, to estimate properties of subsurface formations. Asan example, reflection seismology may provide seismic data representing waves of elastic energy (e.g., as transmitted by P-waves and S-waves, in a frequency range of approximately 1 Hz to approximately 100 Hz). Seismic data may be processed and interpreted, for example, to understand better composition, fluid content, extent and geometry of subsurface rocks. Such interpretation results can be utilized to plan, simulate, perform, etc., one or more operations for production of fluid from a reservoir (e.g., reservoir rock, etc.).

[0079] Field acquisition equipment may be utilized to acquire seismic data, which may be in the form of traces where a trace can include values organized with respect to time and / or depth (e.g., consider 1 D, 2D, 3D or 4D seismic data). For example, consider acquisition equipment that acquires digital samples at a rate of one sample per approximately 4 ms. Given a speed of sound in a medium or media, a sample rate may be converted to an approximate distance. For example, the speed of sound in rock may be on the order of around 5 km per second. Thus, a sample time spacing of approximately 4 ms would correspond to a sample “depth” spacing of about 10 meters (e.g., assuming a path length from source to boundary and boundary to sensor). As an example, a trace may be about 4 seconds in duration; thus, for a sampling rate of one sample at about 4 ms intervals, such a trace would include about 1000 samples where latter acquired samples correspond to deeper reflection boundaries. If the 4 second trace duration of the foregoing example is divided by two (e.g., to account for reflection), for a vertically aligned source and sensor, a deepest boundary depth may be estimated to be about 10 km (e.g., assuming a speed of sound of about 5 km per second).

[0080] As an example, a model may be a simulated version of a geologic environment. As an example, a simulator may include features for simulating physical phenomena in a geologic environment based at least in part on a model or models. A simulator, such as a reservoir simulator, can simulate fluid flow in a geologic environment based at least in part on a model that can be generated via a framework that receives seismic data and / or log data. A simulator can be a computerized system (e.g., a computing system) that can execute instructions using one or more processors to solve a system of equations that describe physical phenomena subject to various constraints. In such an example, the system of equations may be spatially defined (e.g., numerically discretized) according to a spatial model that that includes layers ofrock, geobodies, etc., that have corresponding positions that can be based on interpretation of seismic and / or other data (e.g., log data). A spatial model may be a cell-based model where cells are defined by a grid (e.g., a mesh). A cell in a cellbased model can represent a physical area or volume in a geologic environment where the cell can be assigned physical properties (e.g., permeability, fluid properties, etc.) that may be germane to one or more physical phenomena (e.g., fluid volume, fluid flow, pressure, etc.). A reservoir simulation model can be a spatial model that may be cell-based.

[0081] While several simulators are illustrated in the example of FIG. 1 , one or more other simulators may be utilized, additionally or alternatively. For example, consider the VISAGE geomechanics simulator (SLB, Houston Texas), which includes finite element numerical solvers that may provide simulation results such as, for example, results as to compaction and subsidence of a geologic environment, well and completion integrity in a geologic environment, cap-rock and fault-seal integrity in a geologic environment, fracture behavior in a geologic environment, thermal recovery in a geologic environment, CO2 disposal, etc. As an example, the KINTEX framework (SLB, Houston, Texas) may be utilized, for example, as a well services plug-in for the PETREL framework. The KINETIX framework may provide for multistage completion and stimulation design and production evaluation for conventional and unconventional reservoirs. As an example, the VISAGE geomechanics simulator and the KINETIX framework may be operative coupled (e.g., for running stimulation stresses processes, etc.).

[0082] As an example, the INTERSECT framework and / or one or more other fluid dynamics simulators may provide for coupling to a geomechanics simulator. For example, consider a coupling workflow for carbon storage and geomechanics simulations using the INTERSECT framework and the VISAGE finite-element geomechanics simulator where such an approach may further include coupling to a geochemistry framework. In such an example, characterization of carbon storage processes may be improved through more accurate representations of geochemistry.

[0083] As mentioned, a framework may be implemented within or in a manner operatively coupled to the DELFI environment, which is a secure, cognitive, cloudbased collaborative environment that integrates data and workflows with digitaltechnologies, such as artificial intelligence and machine learning. As an example, such an environment can provide for operations that involve one or more frameworks. The DELFI environment may be referred to as the DELFI framework, which may be a framework of frameworks. As an example, the DELFI framework can include various other frameworks, which can include, for example, one or more types of models (e.g., simulation models, etc.).

[0084] FIG. 2 shows an example of a sedimentary basin 210 (e.g., a geologic environment), an example of a method 220 for model building (e.g., for a simulator, etc.), an example of a formation 230, an example of a borehole 235 in a formation and an example of a system 250.

[0085] As an example, data acquisition, reservoir simulation, petroleum systems modeling, etc. may be applied to characterize various types of subsurface environments, including environments such as those of FIG. 1.

[0086] In FIG. 2, the sedimentary basin 210, which is a geologic environment, includes horizons, faults, one or more geobodies and facies formed over some period of geologic time. These features are distributed in two or three dimensions in space, for example, with respect to a Cartesian coordinate system (e.g., x, y and z) or other coordinate system (e.g., cylindrical, spherical, etc.). As shown, the model building method 220 includes a data acquisition block 224 and a model geometry block 228. Some data may be involved in building an initial model and, thereafter, the model may optionally be updated in response to model output, changes in time, physical phenomena, additional data, etc. As an example, data for modeling may include one or more of the following: depth or thickness maps and fault geometries and timing from seismic, remote-sensing, electromagnetic, gravity, outcrop and log data. Furthermore, data may include depth and thickness maps stemming from facies variations (e.g., due to seismic unconformities) assumed to following geological events (“iso” times) and data may include lateral facies variations (e.g., due to lateral variation in sedimentation characteristics).

[0087] As shown in FIG. 2, the formation 230 includes a horizontal surface and various subsurface layers. As an example, a borehole may be vertical. As another example, a borehole may be deviated. In the example of FIG. 2, the borehole 235 may be considered a vertical borehole, for example, where the z-axis extends downwardly normal to the horizontal surface of the formation 230. As an example, atool 237 may be positioned in a borehole, for example, to acquire information. As mentioned, a borehole tool can include one or more sensors that can acquire borehole images via one or more imaging techniques. A data acquisition sequence for such a tool can include running the tool into a borehole with acquisition pads closed, opening and pressing the pads against a wall of the borehole, delivering electrical current into the material defining the borehole while translating the tool in the borehole, and sensing current remotely, which is altered by interactions with the material.

[0088] As an example, a borehole tool or downhole tool may be a logging tool, which may be a logging-while-drilling (LWD) tool, a measurement-while-drilling (MWD) tool, a wireline tool, a coiled tubing tool, etc. A tool can include one or more sensors that can acquire measurements, which may be recorded with respect to time, depth, depth and time, etc. Where measurements and / or information derived therefrom are presented along one axis with respect to another axis, such as, for example, time and / or depth, the presentation may be in the form of a log.

[0089] As shown in FIG. 2, the system 250 includes one or more information storage devices 252, one or more computers 254, one or more networks 260 and instructions 270. As to the one or more computers 254, each computer may include one or more processors (e.g., or processing cores) 256 and memory 258 for storing instructions, for example, consider the instructions 270 as including instructions executable by at least one of the one or more processors. As an example, a computer may include one or more network interfaces (e.g., wired or wireless), one or more graphics cards (e.g., one or more GPUs, etc.), a display interface (e.g., wired or wireless), etc. As an example, imagery such as surface imagery (e.g., satellite, geological, geophysical, etc.) may be stored, processed, communicated, etc. As an example, data may include SAR data, GPS data, etc. and may be stored, for example, in one or more of the storage devices 252. As an example, the system 250 may be local, remote or in part local and in part remote. As to remote resources, consider one or more cloud-based resources (e.g., as part of a cloud platform, etc.).

[0090] As an example, the instructions 270 may include instructions (e.g., stored in memory) executable by one or more processors to instruct the system 250 to perform various actions. As an example, the system 250 may be configured such that the instructions 270 provide for establishing one or more aspects of the workspace framework 110 of FIG. 1 As an example, one or more methods, techniques, etc. maybe performed at least in part via instructions, which may be, for example, instructions of the instructions 270 of FIG. 2.

[0091] FIG. 3 shows an example of a system 300 that includes a geological / geophysical data block 310, a surface models block 320 (e.g., for one or more structural models), a volume modules block 330, an applications block 340, a numerical processing block 350 and an operational decision block 360. As shown in the example of FIG. 3, the geological / geophysical data block 310 can include data from well tops or drill holes 312, data from seismic interpretation 314, data from outcrop interpretation and optionally data from geological knowledge. As to the surface models block 320, it may provide for creation, editing, etc. of one or more surface models based on, for example, one or more of fault surfaces 322, horizon surfaces 324 and optionally topological relationships 326. As to the volume models block 330, it may provide for creation, editing, etc. of one or more volume models based on, for example, one or more of boundary representations 332 (e.g., to form a watertight model), structured grids 334 and unstructured meshes 336.

[0092] In the system 300, data of the data block 310 and / or one or more other blocks may be generated and / or received in the form of logs, which may include various types of data (e.g., sensor-based data, annotations, augmentations, synthetic data, simulation data, derived data, model-based data, etc.). Such data may provide for performance of one or more workflows, which may include automated workflows, semi-automated workflows, manual workflows, etc. As an example, one or more workflows may involve training of one or more machine learning models for one or more purposes.

[0093] As shown in the example of FIG. 3, the system 300 may allow for implementing one or more workflows, for example, where data of the data block 310 are used to create, edit, etc., one or more surface models of the surface models block 320, which may be used to create, edit, etc., one or more volume models of the volume models block 330. As indicated in the example of FIG. 3, the surface models block 320 may provide one or more structural models, which may be input to the applications block 340. For example, such a structural model may be provided to one or more applications, optionally without performing one or more processes of the volume models block 330 (e.g., for purposes of numerical processing by the numerical processing block 350). Accordingly, the system 300 may be suitable for one or moreworkflows for structural modeling (e.g., optionally without performing numerical processing per the numerical processing block 350).

[0094] As to the applications block 340, it may include applications such as a well prognosis application 342, a reserve calculation application 344 and a well stability assessment application 346. As to the numerical processing block 350, it may include a process for seismic velocity modeling 351 followed by seismic processing 352, a process for facies and petrophysical property interpolation 353 followed by flow simulation 354, and a process for geomechanical simulation 355 followed by geochemical simulation 356. As indicated, as an example, a workflow may proceed from the volume models block 330 to the numerical processing block 350 and then to the applications block 340 and / or to the operational decision block 360. As another example, a workflow may proceed from the surface models block 320 to the applications block 340 and then to the operational decisions block 360 (e.g., consider an application that operates using a structural model).

[0095] In the example of FIG. 3, the operational decisions block 360 may include a seismic survey design process 361 , a well rate adjustment process 352, a well trajectory planning process 363, a well completion planning process 364 and a process for one or more prospects, for example, to decide whether to explore, develop, abandon, etc. a prospect.

[0096] Referring again to the data block 310, the well tops or drill hole data 312 may include spatial localization, and optionally surface dip, of an interface between two geological formations or of a subsurface discontinuity such as a geological fault; the seismic interpretation data 314 may include a set of points, lines or surface patches interpreted from seismic reflection data, and representing interfaces between media (e.g., geological formations in which seismic wave velocity differs) or subsurface discontinuities; the outcrop interpretation data 316 may include a set of lines or points, optionally associated with measured dip, representing boundaries between geological formations or geological faults, as interpreted on the earth surface; and the geological knowledge data 318 may include, for example knowledge of the paleo-tectonic and sedimentary evolution of a region.

[0097] As to a structural model, it may be, for example, a set of gridded or meshed surfaces representing one or more interfaces between geological formations (e.g., horizon surfaces) or mechanical discontinuities (fault surfaces) in thesubsurface. As an example, a structural model may include some information about one or more topological relationships between surfaces (e.g., fault A truncates fault B, fault B intersects fault C, etc.).

[0098] As to the one or more boundary representations 332, they may include a numerical representation in which a subsurface model is partitioned into various closed units representing geological layers and fault blocks where an individual unit may be defined by its boundary and, optionally, by a set of internal boundaries such as fault surfaces.

[0099] As to the one or more structured grids 334, it may include a grid that partitions a volume of interest into different elementary volumes (cells), for example, that may be indexed according to a pre-defined, repeating pattern. As to the one or more unstructured meshes 336, it may include a mesh that partitions a volume of interest into different elementary volumes, for example, that may not be readily indexed following a pre-defined, repeating pattern (e.g., consider a Cartesian cube with indexes I, J, and K, along x, y, and z axes).

[0100] As to the seismic velocity modeling 351 , it may include calculation of velocity of propagation of seismic waves (e.g., where seismic velocity depends on type of seismic wave and on direction of propagation of the wave). As to the seismic processing 352, it may include a set of processes allowing identification of localization of seismic reflectors in space, physical characteristics of the rocks in between these reflectors, etc.

[0101] As to the facies and petrophysical property interpolation 353, it may include an assessment of type of rocks and of their petrophysical properties (e.g., porosity, permeability), for example, optionally in areas not sampled by well logs or coring. As an example, such an interpolation may be constrained by interpretations from log and core data, and by prior geological knowledge.

[0102] As to the flow simulation 354, as an example, it may include simulation of flow of hydro-carbons in the subsurface, for example, through geological times (e.g., in the context of petroleum systems modeling, when trying to predict the presence and quality of oil in an un-drilled formation) or during the exploitation of a hydrocarbon reservoir (e.g., when some fluids are pumped from or into the reservoir).

[0103] As to geomechanical simulation 355, it may include simulation of the deformation of rocks under boundary conditions. Such a simulation may be used, forexample, to assess compaction of a reservoir (e.g., associated with its depletion, when hydrocarbons are pumped from the porous and deformable rock that composes the reservoir). As an example, a geomechanical simulation may be used for a variety of purposes such as, for example, prediction of fracturing, reconstruction of the paleogeometries of the reservoir as they were prior to tectonic deformations, etc.

[0104] As to geochemical simulation 356, such a simulation may simulate evolution of hydrocarbon formation and composition through geological history (e.g., to assess the likelihood of oil accumulation in a particular subterranean formation while exploring new prospects).

[0105] As to the various applications of the applications block 340, the well prognosis application 342 may include predicting type and characteristics of geological formations that may be encountered by a drill-bit, and location where such rocks may be encountered (e.g., before a well is drilled); the reserve calculations application 344 may include assessing total amount of hydrocarbons or ore material present in a subsurface environment (e.g., and estimates of which proportion can be recovered, given a set of economic and technical constraints); and the well stability assessment application 346 may include estimating risk that a well, already drilled or to-be-drilled, will collapse or be damaged due underground stress.

[0106] As to the operational decision block 360, the seismic survey design process 361 may include deciding where to place seismic sources and receivers to optimize the coverage and quality of the collected seismic information while minimizing cost of acquisition; the well rate adjustment process 362 may include controlling injection and production well schedules and rates (e.g., to maximize recovery and production); the well trajectory planning process 363 may include designing a well trajectory to maximize potential recovery and production while minimizing drilling risks and costs; the well trajectory planning process 364 may include selecting proper well tubing, casing and completion (e.g., to meet expected production or injection targets in specified reservoir formations); and the prospect process 365 may include decision making, in an exploration context, to continue exploring, start producing or abandon prospects (e.g., based on an integrated assessment of technical and financial risks against expected benefits).

[0107] In the example of FIG. 3, the geochemical simulation block 356 is shown as being associated with a geomechanical simulation block 355. As explained, one ormore chemical phenomena frameworks may be included in and / or operatively coupled to a framework where, for example, one or more links exist between chemical phenomena and fluid dynamics (see, e.g., the flow simulation block 354). While various examples mention geochemical, a framework may provide for generation of results that may not be geochemical. For example, consider chemical phenomena that may occur between substances that do not include a rock substance and / or otherwise affect rock. As an example, a workflow may include generating results for chemical phenomena that include geochemical phenomena along with fluid dynamics, which may be fluid dynamics as associated with one or more subsurface regions (e.g., fractures, reservoirs, faults, salt bodies, etc.).

[0108] As to a fluid dynamics framework, it may be a flow simulation framework or a flow simulator. As an example, a model may be made that models a geologic environment in combination with equipment, wells, etc. For example, a model may be a flow simulation model for use by a simulator to simulate flow in an oil, gas or oil and gas production system. Such a flow simulation model may include equations, for example, to model multiphase flow from a reservoir to a wellhead, from a wellhead to a reservoir, etc. A flow simulation model may also include equations that account for flowline and surface facility performance, for example, to perform a comprehensive production system analysis.

[0109] As an example, a framework may include instructions (e.g., processorexecutable instructions) to facilitate generation of a flow simulation model. For example, instructions may provide for modeling completions for vertical wells, completions for horizontal wells, completions for fractured wells, etc. A framework may include instructions for particular types of equations, for example, black-oil equations, equations of state (EoSs), etc. A framework may include instructions for artificial lift, for example, to model fluid injection, fluid pumping, etc. As an example, consider a framework that includes features for modeling one or more electric submersible pumps (ESPs) (e.g., based in part on pump performance curves, motors, cables, etc.).

[0110] As an example, a flow simulation model may provide for analyses with respect to past times, present times and / or future times, for example, to allow for optimization of production equipment, injection equipment, etc. As an example, consider an optimal time-based and conditional-event logic representation for dailyfield development operations that can be used to evaluate various field operations, whether in planning and / or execution stages.

[0111] As to equations, sets of conservation equations for mass momentum and energy describing single, two or three phase flow (e.g., according to one or more of a LEDAFLOW (Kongsberg Oil & Gas Technologies AS, Sandvika, Norway), OLGA model (SLB, Houston, Texas), TUFFP unified mechanistic models (Tulsa University Fluid Flow Projects, Tulsa, Oklahoma), etc.).

[0112] As to numerical solvers as may be implemented by one or more frameworks, they may utilize one or more of various types of numerical solution schemes, which may be characterized as being explicit and / or implicit. For example, when a direct computation of dependent variables can be made in terms of known quantities, a scheme may be characterized as explicit. Whereas, when dependent variables are defined by coupled sets of equations, and either a matrix or iterative technique is implemented to obtain a solution, a scheme may be characterized as implicit.

[0113] As an example, a scheme may be characterized as adaptive implicit (“AIM”). An AIM scheme may adapt, for example, based on one or more gradients as to one or more variables, properties, etc. of a model. For example, where a model of a subterranean environment includes a region where porosity varies rapidly with respect to one or more physical dimensions (e.g., x, y, or z), a solution for one or more variables in that region may be modeled using an implicit scheme while an overall solution for the model also includes an explicit scheme (e.g., for one or more other regions for the same one or more variables).

[0114] As an example, a scheme may be implemented as part of a reservoir simulator. As an example, the aforementioned OLGA simulator may include an interface that allows for interoperability with a reservoir simulator. As an example, a reservoir simulator may implement a fully implicit scheme or an implicit-explicit scheme that is implicit in pressure and explicit in saturation, known as IMPES. In the fully implicit scheme, values for both pressure and saturation are provided at the end of each simulation time-step; whereas, the IMPES scheme uses saturation values from the beginning of the time-step to solve for pressure values at the end of the time-step. In such examples, a reservoir simulator iterates until pressures values in grid blocks of a model of the reservoir being simulated have reached some internally consistentsolution. However, a solution may be difficult to find if saturation (which the IMPES scheme assumes is constant within a time-step) changes rapidly during that time-step (e.g., a large percentage change in grid block values for saturation). The IMPES scheme may be able to cope with such an issue by decreasing “length” (e.g., duration) of the time-step but at the cost of more time-steps (e.g., in an effort to achieve a more stable solution).

[0115] The aforementioned fully implicit scheme may be a more stable option with saturation and pressure being obtained simultaneously so as any difference between their values for one time-step and a next time-step does not disturb a solution process as much as when compared to the IMPES scheme. Thus, in a fully implicit scheme, the “length” (e.g, duration) of a time-step may be larger but it also means that the fully implicit scheme may take additional processing time to achieve solutions (e.g., in comparison with an IMPES scheme). However, in a reservoir where properties change rapidly, a fully implicit scheme may provide a solution in less computational time than an IMPES scheme, even though an iteration of the fully implicit scheme may take longer to complete when compared to an iteration of the IMPES scheme.

[0116] As an example, a reservoir simulator may also implement one or more components such as a black-oil simulator component, a compositional simulator component, or a thermal simulator component (e.g., for simulating thermodynamics, etc.). As an example, a black-oil simulator component may include equations to model three fluid phases (e.g., oil, water, and gas, with gas dissolving in oil and oil vaporizing in gas); as an example, a compositional simulator component may include equations to model phase behavior and compositional changes; and, as an example, a thermal simulator component may include instructions (e.g., for equations, etc.) to model a thermal recovery processes such as steam-assisted gravity drainage (SAGD), cyclic stream operations, in-situ combustion, heater, and cold heavy oil production with sand. As an example, one or more thermal components may provide instructions for modeling and simulating multiple hydrocarbon components in both oil and gas phases, a single nonvolatile component in an oil phase, oil, gas, water, and solids behaviors (e.g., optionally with chemical reactions), well production rates based on factors such as well temperature, low-temperature thermal scenarios (e.g., experiments or cold heavy oil production with sand), toe-to-heel air injection scenarios, foamy oil (e.g., asto effect on gas production, gas drive, oil production, etc.), multi-segmented well models (e g., optionally including dual-tubing, horizontal wells, multiphase flow effects in a wellbore, etc.).

[0117] As an example, a fluid dynamics framework may include one or more features of the INTERSECT (IX) framework. The IX framework can provide for multiscale sequential fully implicit techniques that may utilize, for example, solvers that may be applied individually to pressure and saturation. As an example, the IX framework may be implemented for fluid simulations with the use of a multiscale pressure solver. As an example, the IX framework may utilize GPU technology, for example, enabling GPU-based simulation (e.g., multi-core processor-based simulation, etc.). As an example, the IX framework may provide for simulation of isothermal component solubility in water (CSIW), which may, for example, be extended to consider the effect of salinity on CO2 solubility computations (e.g., via solubility tables, etc.). Such an approach can provide for modeling of CO2 trapping and help to improve accuracy of CO2 sequestration processes. For example, control of field equipment may be performed based on results of CO2 trapping simulation. In such an approach, a framework may provide for receipt of data (e.g., sensor data, operational data, etc.) and generation of results germane to one or more aspects of field operations that can involve CO2 sequestration. As an example, the effect of brine components as well as CO2 in an aqueous phase may be considered in property computations such as, for example, one or more of fugacity, density, viscosity, and flash (e.g., in a fully implicit way to ensure maximum stability and performance). Such an approach can provide for improved field operations, for example, due to increased accuracy in representing phenomena germane to CO2-related processes. In various instances, stress and / or strain may be modeled, measured, etc. As an example, one or more techniques, technologies, etc., may be employed to measure stress and / or strain in a field. For example, consider one or more types of downhole well sensors and / or surface sensors. As an example, a sensor may be one or more of fiber-based, circuitry-based, etc., for measuring position, movement, stress, fracturing, etc. (e.g., consider optical fiber sensors, seismic sensors, etc.). As explained, various types of geomechanical risks may occur during and / or after field operations, which may pertain to a formation, a wellbore, faults, etc. As explained, for CO2, a goal may be long-termstorage where one or more types of geomechanical phenomena may relate to one or more types of leakage risks.

[0118] As an example, one or more sensors may be utilized in a system where, for example, sensor data acquired by the one or more sensors may be utilized as feedback within the system where the system may include a controller that can issue control instructions to one or more pieces of field equipment, for example, to control field operations as may be related to CO2 sequestration, etc. For example, consider adjusting one or more CO2 injection parameters responsive to seismic sensing in an effort to reduce risks of geomechanical damage that may increase risk of CO2 leakage from a subsurface formation. In such an example, risks of geomechanical damage may be associated with one or more of state of CO2 injected, state of CO2 downhole, fluid dynamics, geochemistry, etc.

[0119] As an example, the IX framework can provide a water weakening model, which may be extended with rebound behavior during compaction. As an example, one or more types of chalk reservoirs may be modeled with grid cell transmissibility multipliers response to pressure increase. As an example, well-to-cell connection factors may also be modeled as being affected (e.g., consider use pressures in regions around a well).

[0120] The IX framework can provide for one or more machine learning techniques such as, for example, computation of saturation pressure for compositional mixtures, which may tend to be, otherwise, a relatively an expensive computation. Such an approach to saturation pressure may involve training data being generated using exhaustive flash computations and a regressor that may be deployed using an integrated machine learning framework (e.g., consider the TENSORFLOW framework, Google, Mountain View, CA). In such an approach, simulations may be run in a more expeditious manner that may thereby provide for improved decision-making, control, etc.

[0121] FIG. 4 shows an example of a system 400 that includes various features such as a user interface (e.g., a graphical user interface (GUI)), a fluid dynamics framework (FDF) (e.g., the INTERSECT (IX) simulator, etc.), a geochemical application programming interface (e.g., geochemical API), and a visualization interface (e.g., a GUI or GUIs). As explained, as to chemical phenomena, where interactions with rock occur, such phenomena may be referred to as geochemicalphenomena. For example, introduction of CO2 that interacts with H2O can generate acid (e.g., a weak acid), which, in turn, may interact with rock (e.g., to dissolve rock and / or to cause deposit of substances in rock and / or as rock). As explained, a fluid dynamics framework may not include native capabilities for handling various geochemical phenomena. As an example, a fluid dynamics framework system may be enhanced through integration, coupling, etc., with features for handling various geochemical phenomena.

[0122] In the example of FIG. 4, the API (e.g., not to be confused with the American Petroleum Institute, also abbreviated “API”), can provide for interactions between the FDF and one or more chemical phenomena frameworks (CPFs), which may include the aforementioned REAKTORO, PHREEQC, and / or one or more other frameworks. As an example, a fluid dynamics framework may be operatively coupled to one or more geochemistry frameworks using one or more APIs; noting that, in such an example, coupling features may also be provided for geomechanics (e.g., a geomechanics framework, etc.).

[0123] In the example of FIG. 4, various descriptions can be utilized. For example, consider a description of aqueous substances and a description of solid substances. In the example of FIG. 4, the aqueous substances (Xix.aq) may include, for example, NaCI, NaCI2, CaCO3, H2O and CO2, while the solid substances (Xix.sid) may include halite and calcite, where a listing may include one or more evaporite deposit minerals.

[0124] In the example of FIG. 4, the user interface (e.g., GUI or GUIs) may provide for inputs as to salt (e.g., NaCI, CaCI2, CaCO3), vapor (e.g., CO2, H2O), and mineral (e.g., halite and calcite) where such inputs can be formulated as explained above, for example, to facilitate coupling of chemical phenomena and fluid dynamics.

[0125] As to the one or more CPFs, one or more of these may provide for generating results as to geochemical substances (Xgeo) (e. g„ CO2, H2O, NaCI, CaCO3, CaCI2, H+, OH-, HCO3-2, Na+, CI-, Ca+2, C+4) and elements (Xeiems) (e.g., H, C, O, Na, Cl, Ca). As shown, the API may provide for calling and receiving responses from one or more of the CPFs such that results for aqueous substances can be generated (see, e.g., Xix.aq = (ATA)’1AT*Xeiems). Such aqueous substances may be subject to transport phenomena and / or other phenomena where, for example, an FDF may provide for simulating such phenomena.

[0126] As an example, a system may provide for modeling and simulation of one or more types of thermodynamic processes. As an example, thermodynamic processes may include, for example, one or more processes that are endothermic and / or exothermic. In such an example, energy consumed and / or energy released may be taken into account as to one or more of pressure, temperature, volume, reaction kinetics, etc.

[0127] As an example, a fluid dynamics framework may utilize a relatively large model of a subsurface region. As to discretization of a modeled space, a cell (e.g., element, etc.) of a model may have dimensions that may differ in different directions and / or that may be the same in two or more directions. As an example, a smallest dimension of a cell may be of the order of approximately 0.1 m, noting that a small dimension may result in a larger number of cells of a model. In various models, a smallest dimension may be of the order of 1 m to 100 m. As an example, a model may include millions of cells (e.g., tens of millions to hundreds of millions or more). As explained, a fluid dynamics framework may provide for simulation of transport of one or more substances. As an example, an approach to modeling and simulation that can effectively reduce the number of substances may provide for lesser computational demands. As an example, a workflow may implement a system that can provide for representation of one or more substances as in a fluid (e.g., aqueous, etc.) and / or as solid (e.g., mineral, etc.), for example, without speciation thereof for purposes of reducing computational demands, while also accounting for speciation (e.g., reaction chemistry, etc.) via coupling to a chemical phenomena framework. As explained, a system may include one or more converter components that can convert species to substances and / or vice versa.

[0128] FIG. 5 shows an example of a system 500 that includes the system 400 of FIG. 4 along with various other features. For example, the API may access one or more databases (e.g., one or more geochemical databases, etc.). In the example of FIG. 5, the one or more databases may include a framework or system associated database, a standard database, a client database, etc. As shown, a standard database may be associated with one or more entities (e.g., PHREEQC (USGS), WATEQ4F (USGS), Minteq (Mineral Technologies, Inc., Bethlehem, Pennsylvania), one or more supercritical data databases, etc.).

[0129] As shown in FIG. 5, an advective species generator may be included in the system 500 that can receive input as to various substances, concentration, weights, etc. Such a generator may provide for generating a listing of inputs, which may be associated with one or more substances, which may be represented in a nonionic form (e.g., NaCI, CaCI2, CaCO3, H2O, CO2, etc.).

[0130] In the field of physics, engineering, and earth sciences, advection is the transport of a substance or quantity by bulk motion of a fluid where properties of a substance can be carried with it. As an example, an advected substance may also be a fluid. As an example, properties that are carried with an advected substance may be conserved properties, such as, for example, energy. An example of advection is the transport of pollutants or silt in a river by bulk water flow downstream. As an example, an advected quantity may be energy or enthalpy. As an example, a fluid may be a material that contains thermal energy, such as water or air. As an example, a substance or conserved, extensive quantity may be advected by a fluid that can hold or contain the quantity or substance. During advection, a fluid transports some conserved quantity and / or material, for example, via bulk motion. As an example, fluid motion may be described using a vector field and, for example, a transported material may be described using a scalar field that characterizes its distribution in a single dimension or in multiple dimensions. Advection demands current in a fluid, and so does not occur in rigid solids. Advection may not consider transport of substances by molecular diffusion. As an example, convection may encompass a combination of advective transport and diffusive transport. As an example, momentum may be advected by a velocity field in the Navier-Stokes equations, where resulting motion may be considered to be convection.

[0131] As an example, output from the system 500 may include one or more reports, which may include one or more tables as to various concentrations, molecular weights, etc., as to one or more substances, which may be in ionic form. As an example, output from the system 500 may provide for control field equipment, for example, to control for one or more geochemical processes, which may include advection, diffusion, convection, etc., whether as material and / or as energy.

[0132] As an example, a system may operate according to various actions, which may be performed in series and / or in parallel. For example, consider a workflow that includes defining species as follows:Aqueous species Mineral species = 1LCalciteJ

[0133] Such a workflow may include setting up a geochemistry model such as, for example, by defining ions and complexes or speciates:[C02, H20, NaCI, CaCO2, CaCl2, H+, 0H~ , HCO ~, Na+, CT, Ca+2, C+4]

[0134] As an example, one or more conventions may be utilized for representing species, ions, complexes, speciates, etc. For example, subscripts and / or superscripts may be utilized or not; noting that various conventions provide for proper representation (e.g., in context). As an example, a workflow may, additionally or alternatively, provide for converting to elements in aqueous (e.g., [C, Ca, H, O, Na, Cl]) and then speciating:[(CO2)2, CH4, CO2, CO3-2, Ca+2, CaCO3, CaHCO3+, CaOH+, CI-, H+, H2, H2O, HCO3-, Na+, NaCO3-, NaHCO3, NaOH, 02, OH-]

[0135] As an example, a workflow may solve a system of equations, for example, using one or more geochemistry libraries (e.g., a geochemistry framework, etc.). In such an example, possible reactions may be setup and coupled with kinetics and ion exchangers. As to various libraries (e.g., CPFs, etc.), some may include solving for minimization of Gibbs free energy while one or more others may include solving a kinetic system of ODEs using 4th order Runge-Kutta integration; noting that one or more other techniques may be utilized, additionally or alternatively.

[0136] As an example, a workflow can include performing computations for the total moles of each element in an aqueous system from species defined using inputs and one or more CPFs, etc. For example, consider an approach that includes multiplying a formula matrix (A) by quantities of the species.

[0137] FIG. 6 shows an example of a formula matrix 600, which includes example elements and substances as may be formed from one or more of such elements.

[0138] As an example, a workflow can include update FDF substances (e.g., chemical components using an elemental composition obtained from one or more CPFs geochemistry package). For example, consider an approach that involves solving the following equation:

[0139] FIG. 7 shows an example plot 700 of results generated for a scenario that involves CO2 injection via a well into a subsurface region where various fluid dynamics and chemical phenomena occur. In particular, the resulting data in the plot 700 demonstrates the effect of injecting CO2 into a saline aquifer. For example, when CO2 is injected, it causes evaporation of H2O such that salt (e.g., NaCI) is left behind in a solid state (e.g., “salting out”). The plot 700 is a portion of a model of a subsurface region where the injection well is on the left and where concentrations of salt may be indicated by different graphical styles (e.g., hatching, shading, colors, etc.), which may predominantly form in a near-wellbore region, which, as explained, can impact physical properties of rock such as, for example, permeability and / or porosity. As physical properties may be impacted from such a field operation, fluid dynamics may be impacted where an aim is to inject CO2 to sequester the CO2 in the subsurface region. Specifically, in the example plot 700, the colors represent concentrations of halite, which is a solid form of NaCI (e.g., NaCI in a mineral state). As an example, field equipment may be controlled using results as to solids formation. For example, consider an approach that may include adjusting one or more injection parameters to address solids formation. In such an example, consider injecting a substance, energy, etc., that may help to dissolve and / or otherwise breakup solids near an injection well, which may provide for improved injection. As an example, an injection section (e.g., a nozzle, perforations, etc.) may be positionable in a well, for example, to direct CO2 to a particular measured depth or measured depths in a well. In such an example, solids formation may be controlled and / or CO2 injected in a manner based on presence and / or absence of solids at one or more locations. In such an example, awell into a reservoir may be more effectively utilized to help improve injection of CO2 into the reservoir for purposes of CO2 sequestration.

[0140] As an example, a control scheme may involve periodically pumping fluid in one direction and in another direction. In such an example, mechanical energy may be generated that may act to dislodge, displace, preferentially reaggregate, etc., solids. As an example, field equipment may include one or more types of pumps, which may include surface pumps and / or downhole pumps. As an example, one or more electric submersible pumps (ESPs) may be employed, which may provide for pumping in one or more directions (e.g., consider a reversible pump suitable for pumping uphole and for pumping downhole).

[0141] FIG. 8 shows an example plot 800 of generated results for another example scenario where the plot 800 shows mole fraction for various substances with respect to time over a span of years. In this scenario, the reactions between several minerals and species present in a H2O phase are shown with respect to time. In this scenario, mantle peridotite is composed largely of the minerals olivine [(Mg,Fe)2SiO4] and pyroxene [(Ca,Mg,Fe)2Si2O6], which react with H2O and CO2 near the surface to form hydrous silicates (serpentine), Fe-oxides (magnetite), and carbonates (calcite, magnesite, and dolomite). The plot 800 demonstrates the dissolution of olivine and pyroxene and the precipitation of magnesite when when CO2 is injected into a peridotite formation. As an example, field equipment may be controlled using such results. For example, consider adjusting one or more of flow rate, composition, energy, treatments, etc., which may aim to control reactions of olivine, pyroxene, etc., with H2O and CO2 such that formation of one or more reaction products is controlled. As explained, control may involve time and / or space control. For example, consider controlling formation of and / or dissolution of one or more substances with respect to time in one or more locations of a well and / or a reservoir.

[0142] As explained, a system or framework can provide for generation of a GUI that can facilitate setting up a scenario, for example, by defining a system of salts and minerals.

[0143] As explained, a system or framework can facilitate computational performance in coupled reactive transport problems. In such an approach, one or more input mechanisms (e.g., GUIs, control systems, etc.) may provide for simplified definitions of a reactive transport system. As explained, a workflow can involvecoupling a reservoir simulator (e.g., a FDF) to one or more reactive transport codes (e.g., CPFs) to thereby address physical complexities in modeling various field operations. As an example, a system or framework may include one or more types of pre- and / or post- solution capabilities, which may enhance workflows.

[0144] As explained, a scenario may involve CO2 storage modeling where phenomena may include salting out effects (e.g., precipitation of salts such as NaCI as result of CO2 injection). As explained, a workflow may provide for generation of a performant solution for modeling peridotite mineralization. As an example, a scenario may involve modelling methanogenesis in underground hydrogen storage

[0145] As an example, a workflow may consider a scenario that involves peridotite mineralization, which can be a natural process. Indeed, CO2 dissolved in rainwater reacts with peridotite, but, in nature, it can take decades to mineralize even a small amount of CO2. As an example, a workflow may provide for tailoring one or more field operations for accelerating a process to mineralize CO2 (e.g., to mineralize in less than twelve months, etc.).

[0146] As an example, a workflow may consider a scenario involving reservoir damage and / or near-wellbore clogging due to salt precipitation (e.g., consider barium sulphate, etc.). As explained, a system may provide for control of field equipment such that one or more types of damage, clogging, etc., are controlled with respect to time and / or space. As an example, a workflow may provide for generation of a control schedule that may aim to improve CO2 sequestration, for example, by more effectively utilizing one or more wells in a field.

[0147] As an example, a system or framework may provide for automatically handling speciation such that a fit-for-purpose description of fluids can be achieved according to an FDF, which may be a commercial reservoir simulator where, for example, one or more techniques may be introduced to ensure performance and stability without sacrificing accuracy.

[0148] FIG. 9 shows a series of approximate graphics 900 of a portion of a formation (e.g. , a reservoir, etc.) with porosity where, initially, pore volume is filled with fluid, such as, for example, a brine (e.g., H2O and dissolved salts) and where, responsive to injection of CO2, solids formation occurs, for example, due to drying out of the brine as the CO2 advances in the formation. As shown, total pore volume can trend from being a fluid pore volume to a mix of a fluid pore volume and a solid porevolume (e.g., or solids pore volume). In general, pore volume available for fluid, and hence fluid flow, may decrease when CO2 gas is injected into a brine formation. As explained, a simulator may utilize a grid cell model where, for each cell of the grid cell model, fluids and solids can be accounted for. In various instances, solids within a grid cell pore volume (e.g., a solids pore volume) may be initially zero or set to a low value for purposes of computational stability. As an example, total pore volume may be represented using a fluid pore volume and a solids pore volume. In such an approach, as solid formation occurs (e.g., due to salting out, etc.), solids pore volume may increase while fluid pore volume may decrease. While, in various instances, total pore volume may remain relatively constant, the pore volume available for fluid flow may decrease. Hence, porosity and permeability of a formation may decrease responsive to formation of solids in pores of the formation. Depending on dynamics of solids formation, mechanics of porous rock may be altered. For example, solids formation may result in cracking, which may also alter porosity and permeability. As explained, a system may provide for modeling various phenomena, which can include one or more of flow, geochemistry, advection, energy, solids formation, solids dissolution, mechanics, etc. As explained, various phenomena may occur during subsurface injection of CO2, which may be part of a CO2 sequestration process. As an example, a system may provide for modeling and simulation of various phenomena, which may generate results that may be utilized to control a CO2 sequestration process.

[0149] As an example, a framework may utilize a cell-based model (e.g., a grid cell model, etc.), which may be suitable for use by a simulator (e.g., a numerical solver). As an example, such a framework may utilize a series of equations for one or more scenarios involving hydrocarbon and water, along with solids. For example, consider a series of equations that may include the following equation for hydrocarbon and water components (cell j):

[0150] In the foregoing equation, the first term represents the rate of change of the number of moles of component i in cell y, the second term represents the sum ofinter-cell flows of component i into cell j from connected cells k, the third term represents the sum of flows of component i into cell j from an external source or sink w, which may be a well or an aquifer, and the fourth term represents the sum of the changes in moles of component i in cell j that are due to reaction r. As to solid components in cell j, consider the following equation:

[0151] As an example, when solids are or become present, a total pore volume may be split, for example, consider splitting a total pore volume into a fluid pore volume and a solids pore volume, as may be represented by the following equations, respectively:

[0152] In the foregoing equations, S^frepresents the fraction of the total pore volume VpJin cell / that includes solids (e.g., the solid volume fraction). As an example, mass accumulation in cell / may be represented using the following equations for aqueous and solids components, respectively:

[0153] In the foregoing equations for mass accumulation, baJis the molar density of phase a in cell j, Sa’ is the saturation of phase a in cell j, and xaJs the mole fraction of component j in phase a in cell y; whereas, the subscript s corresponds to solids molar density and mole fraction.

[0154] As an example, when solids are present, the total pore volume of pores in a formation may be split into a fluid pore volume and a solid pore volume. As explained, as a pore becomes increasingly filled with solids, the properties of the pore may be altered. For example, a pore may become smaller as to pore space available forflow of fluid. In such an example, injected fluid may flow via a path or paths of least resistance, which may mean that the injected fluid may flow to a region or regions thatmay or may not be beneficial or desirable. As explained, salting out in a near-wellbore region may cause resistance to flow such that a region of a reservoir may become inaccessible via that near-wellbore region. In such an example, some capacity of the reservoir may be effectively lost or may become accessible responsive to increased energy input, etc. (e.g., at a decrease in process efficiency). As explained, an ability to track solids formation with respect to measured depth along a well in a formation may provide for improved control of field operations, resulting in more effective utilization of a reservoir and / or more efficient field operations with respect to a sequestration goal.

[0155] FIG. 10 shows examples of pseudo-code 1000 that may be utilized for coupling within Newton iterations of a solver and for operator splitting. As shown, advection properties may be utilized along with geochemistry and mass balances in an iterative Newton scheme that can converge to a solution. In such an example, solid volume fraction and solid mole fraction values may be computed, for example, to determine whether solid saturation has converged. As shown, coupling of geochemical phenomena with fluid dynamics can be achieved (e.g., within a Newton scheme, via operator splitting, etc.).

[0156] FIG. 11 shows examples of pseudo-code 1100 that may be utilized for operator splitting to effectively couple fluid dynamics and geochemistry.

[0157] FIG. 12 shows an example of a scenario 1200 where an FDF may account for vapor-aqueous equilibrium, updating of aqueous species, and computation of solid mole fractions and where a CPF may account for aqueous solidvapor equilibrium, chemical kinetics for minerals, computation of source terms (e.g., mineral sources, aqueous sources, etc ), and optionally doing so without modifying vapor components and / or H2O and CO2 components in water.

[0158] FIG. 13 shows an example scenario 1300 where various phenomena may be linked as handled by a simulator framework system (e.g., an FDF) (left) and by a geochemistry system (e.g., a CPF) (right). As explained, an FDF may be instructed to handle substances without breakdown of the substances while a CPF may be instructed to handle speciation (e.g., ionic breakdown in to ions, whether positive or negative). As indicated, coupling with a geochemistry system can improve simulation accuracy, particularly where geochemistry may impact one or more field operations (e.g., via salting out, etc.).

[0159] FIG. 14 shows an example of a transformation process 1400, which can include utilization of one or more matrixes. As shown, a transformation process may be utilized to improve performance such that, for example, a framework may provide a solution. For example, consider an approach where a transformation operation may be applied once per simulation to improve operation of a simulator. As an example, a method may include utilizing one or more transformations for coupling of fluid dynamics and geochemistry.

[0160] FIG. 15 shows an example of a scenario 1500 with respect to complexity of a full formula matrix and a sub formula matrix. As explained, a framework may provide for implementing one or more workflows in a manner that can reduce computational demands, which may, for example, utilize a reduced structure for representing one or more substances within an FDF. In particular, a full formula matrix may be reconstructed as a sub formula matrix that may be invertible, as shown.

[0161] FIG. 16 shows an example of a scenario 1600 that can provide for handing of internal geochemistry, which may involve speciation of various substances in the presence of water and / or CO2, where phases may include gas, aqueous and solid phases.

[0162] As shown, a relationship may be utilized for maximum NaCI solubility: Weight Percent NaCI = 26.218 + 0.0072T + 0.000106T2, where T is temperature. An article by Potter II et al., entitled “A new method for determining the solubility of salt in aqueous solutions at elevated temperatures, Journal of Research of the U.S. Geological Survey (USGS), 1977, 5, No. 3, 389-395, is incorporated by reference herein in its entirety.

[0163] FIG. 17 shows an example of a scenario 1700 that can provide for handling of external geochemistry, which may provide for equilibrium reactions 1710, kinetic reactions 1720, etc. As indicated, equilibrium species 1730 and kinetic species 1740 may be taken into account and interactions therebetween, for example, for elemental transfers of calcium, magnesium, carbon and oxygen. As an example, a chemical state of a system subject to a combination of kinetic and equilibrium reactions may evolve according to a differential-algebraic problem where a given initial condition for amounts of species can be utilized from which amounts of elements in an equilibrium partition can be computed. An article by Leal et al. entitled “An overview of computational methods for chemical equilibrium and kinetic calculations forgeochemical and reactive transport modeling”, Pure and Applied Chemistry, vol. 89, no. 5, 2017, pp. 597-643. https: / / doi.org / 10.1515 / pac-2016-1107, is incorporated by reference herein in its entirety. The article by Leal et al., presents an implicit integration scheme that improves stability and speed when solving the often stiff differential equations in kinetic calculations, which can demand compositional derivatives of reaction rates to assemble a Jacobian matrix of the resultant implicit algebraic equations, as solved at each time step. The article by Leal et al., presents a procedure to compute these derivatives and shows how the partial equilibrium assumption affects their computation; noting use of the aforementioned REAKTORO package (reaktoro.org), which is an open-source package for modeling chemically reactive systems.

[0164] As an example, code may be included for handling of kinetics. For example, flow timesteps may be decoupled where a kinetic solver can take subtimesteps.

[0165] FIG. 18 shows an example of a scenario 1800 where a workflow may involve generating an initial guess using ideal activity models and then running a simulation with one or more prescribed activity models (e.g., user prescribed, etc.). As an example, one or more minerals may be initialized using relatively small values. Such an approach may help to achieve convergence to a solution.

[0166] FIG. 19 shows an example plot 1900 of a scenario that involves dolomitization, for example, via conversion of magnesite and calcite with respect to time. In the plot 1900, dolomite, magnesite and calcite are shown as mole fraction with respect to time in months. As shown, the conversion process is substantially complete after approximately seven months.

[0167] FIG. 20 shows an example of a system 2000 that includes a facility 2010 that can produce CO2 and consume methane (CH4), equipment 2020 with conduits extending into a subsurface region 2030 and various processes 2040 where, for example, CO2 can be sequestered as methane is released. In particular, the subsurface region 2030 can include clathrates and / or clathrate forming materials that can provide spaces to hold CO2 and / or CH4. In the example of FIG. 20, the system 2000 can include and / or be operatively coupled to a geologic chemical transport framework 2015 that can provide for generating results (e.g., simulation results, etc.) for such field operations where the results can include results for geochemistry 2050.As explained, C02 can react with H20, which may, in turn, interact with rock, for example, to change the rock physically and / or chemically. As an example, one or more field operations may be controlled using results generated by the geologic chemical transport framework 2015. For example, consider control of one or more parameters related to CO2 injection (e.g., pressure, temperature, flow rate, location, treatment, etc.).

[0168] Clathrate hydrates represent a class of solid state materials. Clathrate hydrates exist in oceans and permafrost regions and exhibit an ability to trap atoms and small molecules (e.g., methane and other small hydrocarbons). Where hydrocarbons are trapped, clathrate hydrates can serve as an energy source. In the oil and gas industry, solid methane clathrate hydrate can plug natural gas pipelines and disrupt oil drilling processes.

[0169] As an example, clathrate hydrates may be utilized to store hydrogen and / or sequester CO2. Trapping of CO2 molecules in clathrate hydrates may be a controllable process that can provide a way to reduce CO2 levels in gas. As an example, clathrate hydrates may be utilized in separation of gases such as CO2 from gas (e.g., flue gases, desalination, etc.). For example, clathrate hydrates may be used in flue gases to separate CO2 by encouraging the formation of CO2 clathrate hydrate in a flue gas mixture. As to hydrate-based desalination, a process can commence when clathrate hydrate forming agent is injected into seawater that has a surrounding temperature lower than clathrate hydrate forming temperature where such a condition promotes solidification and condensation of water molecules around the hydrate formers such that a slurry of clathrate ice and brine form. Once formed, brine may be separated from the slurry of clathrate ice and the clathrate melted via heat exchange with warmer surface water of the ocean.

[0170] As an example, a geologic chemical transport framework may provide for modeling and generation of results of one or more processes that may involve injection of CO2 where geochemical reactions may occur that may impact one or more physical properties of rock of a subsurface region.

[0171] FIG. 21 shows an example of a scenario 2100 that involves peridotite in the presence of CO2 and H2O. As explained, peridotite mineralization may be accelerated using a process such as that of the scenario 2100. As an example, such a process may be simulated for one or more subsurface regions using one or moretypes of field operations (e.g., realizations). In such an example, results may be utilized for construction at a field site and / or for controlling operations in the field (e.g., using equipment to inject CO2, etc.). The example scenario 2100 may involve injecting CO2, dissolved in water, into subsurface peridotite formations (see, e.g., 44.01 project of the Protostar Group Limited, London, UK; noting that 44.01 is the molecular mass of CO2).

[0172] FIG. 22 shows an example of a method 2200 that includes a reception block 2210 for receiving input for a field scenario that comprises fluid dynamics and chemical phenomena, where the input defines substances amenable to speciation; an execution block 2220 for executing a fluid dynamics simulator to perform timesteps for transport of the substances while calling a chemical phenomena framework that determines speciation of the substances; and a generation block 2230 for generating results for the field scenario based on the executing (e.g., execution of the fluid dynamics simulator).

[0173] The method 2200 is shown in FIG. 22 in association with various computer-readable media (CRM) blocks 2211 , 2221 and 2231 . Such blocks generally include instructions suitable for execution by one or more processors (or processor cores) to instruct a computing device or system to perform one or more actions. While various blocks are shown, a single medium may be configured with instructions to allow for, at least in part, performance of various actions of the method 2200. As an example, a computer-readable medium (CRM) may be a computer-readable storage medium that is non-transitory and that is not a carrier wave. As an example, one or more of the blocks 2211 , 2221 and 2231 may be in the form processor-executable instructions, for example, consider the one or more sets of instructions 270 of the system 250 of FIG. 2, etc.

[0174] In the example of FIG. 22, the system 2290 includes one or more information storage devices 2291 , one or more computers 2292, one or more networks 2295 and instructions 2296. As to the one or more computers 2292, each computer may include one or more processors (e.g., or processing cores) 2293 and memory 2294 for storing the instructions 2296, for example, executable by at least one of the one or more processors 2293 (see, e.g., the blocks 2211 , 2221 and 2231 ). As an example, a computer may include one or more network interfaces (e.g., wired or wireless), one or more graphics cards, a display interface (e.g., wired or wireless), etc.

[0175] As an example, a method can include receiving input for a field scenario that comprises fluid dynamics and chemical phenomena, where the input defines substances amenable to speciation; executing a fluid dynamics simulator to perform timesteps for transport of the substances while calling a chemical phenomena framework that determines speciation of the substances; and generating results for the field scenario based on the executing. In such an example, the fluid dynamics simulator can include a model of a subsurface region where, for example, the model of the subsurface region depends on physical properties, for example, consider physical properties such as one or more of permeability and porosity.

[0176] As an example, one or more substances can include a mineral present in rock of a subsurface region. In such an example, results from execution of a fluid dynamics simulator and a chemical phenomena framework can include results for dissolution of the mineral and / or results for conversion of the mineral to another mineral. As to the latter, consider, for example, the mineral being or including magnesite or calcite and the other mineral being or including dolomite and / or the mineral being or including enstatite or forsterite and the other mineral being and / or including magnesite.

[0177] As an example, a field scenario may include injection of CO2 into a subsurface region for peridotite mineralization. In such an example, H2O may be introduced into an injection stream of CO2.

[0178] As an example, one or more substances may include at least one fluid present in pore space of rock of a subsurface region.

[0179] As an example, a field scenario can include injection of one of a number of substances into a subsurface region to alter one or more of physical properties of rock of the subsurface region (e.g., consider alteration of one or more of permeability and porosity).

[0180] As an example, results from execution of a fluid dynamics simulator and a chemical phenomena framework can include results based at least in part on formation of a weak acid by reaction of a first one of a number of substances with a second one of the number of substances. For example, consider a scenario where the first one of the number of substances is or includes CO2 and where the second one of the number of substances is or includes H2O.

[0181] As an example, a fluid dynamics simulator may utilize representations of substances without representations of species due to speciation.

[0182] As an example, a method may include converting representations of species due to speciation of substances as generated by a chemical phenomena framework to representations of the substances for utilization by a fluid dynamics simulator.

[0183] As an example, a method may include generating a graphical user interface for receiving at least a portion of input and / or generating a graphical user interface for rendering of at least a portion of results.

[0184] As an example, a system can include one or more processors; a memory accessible to at least one of the one or more processors; processor-executable instructions stored in the memory and executable to instruct the system to: receive input for a field scenario that comprises fluid dynamics and chemical phenomena, where the input defines substances amenable to speciation; execute a fluid dynamics simulator to perform timesteps for transport of the substances while calling a chemical phenomena framework that determines speciation of the substances; and generate results for the field scenario based on the execution of the fluid dynamics simulator.

[0185] As an example, one or more computer-readable storage media can include processor-executable instructions to instruct a computing system to: receive input for a field scenario that comprises fluid dynamics and chemical phenomena, where the input defines substances amenable to speciation; execute a fluid dynamics simulator to perform timesteps for transport of the substances while calling a chemical phenomena framework that determines speciation of the substances; and generate results for the field scenario based on the execution of the fluid dynamics simulator.

[0186] As an example, a computer program product can include computerexecutable instructions to instruct a computing system to perform one or more methods such as, for example, the method 2200 of FIG. 22, etc.

[0187] As an example, a computer program product can include one or more computer-readable storage media that can include processor-executable instructions to instruct a computing system to perform one or more methods and / or one or more portions of a method.

[0188] In some embodiments, a method or methods may be executed by a computing system. FIG. 23 shows an example of a system 2300 that can include oneor more computing systems 2301-1 , 2301-2, 2301-3 and 2301-4, which may be operatively coupled via one or more networks 2309, which may include wired and / or wireless networks. As shown, one or more other components 2308 may be included in a computing system.

[0189] As an example, a system can include an individual computer system or an arrangement of distributed computer systems. In the example of FIG. 23, the computer system 2301-1 can include one or more modules 2302, which may be or include processor-executable instructions, for example, executable to perform various tasks (e.g., receiving information, requesting information, processing information, simulation, outputting information, etc.).

[0190] As an example, a module may be executed independently, or in coordination with, one or more processors 2304, which is (or are) operatively coupled to one or more storage media 2306 (e.g., via wire, wirelessly, etc.). As an example, one or more of the one or more processors 2304 can be operatively coupled to at least one of one or more network interface 2307. In such an example, the computer system 2301-1 can transmit and / or receive information, for example, via the one or more networks 2309 (e.g., consider one or more of the Internet, a private network, a cellular network, a satellite network, etc.).

[0191] As an example, the computer system 2301-1 may receive from and / or transmit information to one or more other devices, which may be or include, for example, one or more of the computer systems 2301-2, etc. A device may be located in a physical location that differs from that of the computer system 2301 -1. As an example, a location may be, for example, a processing facility location, a data center location (e.g., serverfarm, etc.), a rig location, a wellsite location, a downhole location, etc.

[0192] As an example, a processor may be or include a microprocessor, microcontroller, processor module or subsystem, programmable integrated circuit, programmable gate array, or another control or computing device.

[0193] As an example, the storage media 2306 may be implemented as one or more computer-readable or machine-readable storage media. As an example, storage may be distributed within and / or across multiple internal and / or external enclosures of a computing system and / or additional computing systems.

[0194] As an example, a storage medium or storage media may include one or more different forms of memory including semiconductor memory devices such as dynamic or static random access memories (DRAMs or SRAMs), erasable and programmable read-only memories (EPROMs), electrically erasable and programmable read-only memories (EEPROMs) and flash memories, magnetic disks such as fixed, floppy and removable disks, other magnetic media including tape, optical media such as compact disks (CDs) or digital video disks (DVDs), BLUERAY disks, or other types of optical storage, or other types of storage devices.

[0195] As an example, a storage medium or media may be located in a machine running machine-readable instructions, or located at a remote site from which machine-readable instructions may be downloaded over a network for execution.

[0196] As an example, various components of a system such as, for example, a computer system, may be implemented in hardware, software, or a combination of both hardware and software (e.g., including firmware), including one or more signal processing and / or application specific integrated circuits.

[0197] As an example, a system may include a processing apparatus that may be or include a general-purpose processors or application specific chips (e.g., or chipsets), such as ASICs, FPGAs, PLDs, or other appropriate devices.

[0198] In an example embodiment, a computer-readable medium may be a storage component such as a physical memory storage device, for example, a chip, a chip on a package, a memory card, etc. (e.g., a computer-readable storage medium).

[0199] In an example embodiment, a network may be or include the Internet, an intranet, a cellular network, a satellite network, etc.

[0200] As an example, a device may be a mobile device that includes one or more network interfaces for communication of information. For example, a mobile device may include a wireless network interface (e.g., operable via IEEE 802.11 , ETSI GSM, BLUETOOTH, satellite, etc.). As an example, a mobile device may include components such as a main processor, memory, a display, display graphics circuitry (e.g., optionally including touch and gesture circuitry), a SIM slot, audio / video circuitry, motion processing circuitry (e.g., accelerometer, gyroscope), wireless LAN circuitry, smart card circuitry, transmitter circuitry, GPS circuitry, and a battery. As an example, a mobile device may be configured as a cell phone, a tablet, etc. As an example, amethod may be implemented (e.g., wholly or in part) using a mobile device. As an example, a system may include one or more mobile devices.

[0201] As an example, a system may be a distributed environment, for example, a so-called “cloud” environment where various devices, components, etc. interact for purposes of data storage, communications, computing, etc. As an example, a device or a system may include one or more components for communication of information via one or more of the Internet (e.g., where communication occurs via one or more Internet protocols), a cellular network, a satellite network, etc. As an example, a method may be implemented in a distributed environment (e.g., wholly or in part as a cloud-based service).

[0202] As an example, information may be input from a display (e.g., consider a touchscreen), output to a display or both. As an example, information may be output to a projector, a laser device, a printer, etc. such that the information may be viewed. As an example, information may be output stereographically or holographically. As to a printer, consider a 2D or a 3D printer. As an example, a 3D printer may include one or more substances that can be output to construct a 3D object. For example, data may be provided to a 3D printer to construct a 3D representation of a subterranean formation. As an example, layers may be constructed in 3D (e.g., horizons, etc.), geobodies constructed in 3D, etc. As an example, holes, fractures, etc., may be constructed in 3D (e.g., as positive structures, as negative structures, etc ).

[0203] Although only a few example embodiments have been described in detail above, those skilled in the art will readily appreciate that many modifications are possible in the example embodiments. Accordingly, all such modifications are intended to be included within the scope of this disclosure as defined in the following claims. In the claims, means-plus-function clauses are intended to cover the structures described herein as performing the recited function and not only structural equivalents, but also equivalent structures. Thus, although a nail and a screw may not be structural equivalents in that a nail employs a cylindrical surface to secure wooden parts together, whereas a screw employs a helical surface, in the environment of fastening wooden parts, a nail and a screw may be equivalent structures.

Claims

CLAIMSWhat is claimed is:

1. A method comprising: receiving input for a field scenario that comprises fluid dynamics and chemical phenomena, wherein the input defines substances amenable to speciation; executing a fluid dynamics simulator to perform timesteps for transport of the substances while calling a chemical phenomena framework that determines speciation of the substances; and generating results for the field scenario based on the executing.

2. The method of Claim 1 , wherein the fluid dynamics simulator comprises a model of a subsurface region.

3. The method of Claim 2, wherein the model of the subsurface region depends on physical properties.

4. The method of Claim 3, wherein the physical properties comprise permeability and porosity.

5. The method of Claim 2, wherein one or more of the substances comprise a mineral present in rock of the subsurface region.

6. The method of Claim 5, wherein the results comprise results for dissolution of the mineral.

7. The method of Claim 5, wherein the results comprise results for conversion of the mineral to another mineral.

8. The method of Claim 7, wherein the mineral comprises magnesite or calcite and the another mineral comprises dolomite.

9. The method of Claim 7, wherein the mineral comprises enstatite or forsterite and the another mineral comprises magnesite.

10. The method of Claim 2, wherein the field scenario comprises injection of CO2 into the subsurface region for peridotite mineralization.11 . The method of Claim 2, wherein one or more of the substances comprise at least one fluid present in pore space of the rock of the subsurface region.

12. The method of Claim 3, wherein the field scenario comprises injection of one of the substances into the subsurface region to alter one or more of the physical properties.

13. The method of Claim 1 , wherein the results comprise results based at least in part on formation of a weak acid by reaction of a first one of the substances with a second one of the substances.

14. The method of Claim 13, wherein the first one of the substances comprises CO2 and wherein the second one of the substances comprises H2O.

15. The method of Claim 1 , wherein the fluid dynamics simulator utilizes representations of the substances without representations of species due to speciation.

16. The method of Claim 1 , comprising converting representations of species due to speciation as generated by the chemical phenomena framework to representations of the substances for utilization by the fluid dynamics simulator.

17. The method of Claim 1 , comprising generating a graphical user interface for receiving at least a portion of the input.

18. The method of Claim 1 , comprising generating a graphical user interface for rendering of at least a portion of the results.

19. A system comprising: one or more processors; a memory accessible to at least one of the one or more processors; processor-executable instructions stored in the memory and executable to instruct the system to: receive input for a field scenario that comprises fluid dynamics and chemical phenomena, wherein the input defines substances amenable to speciation; execute a fluid dynamics simulator to perform timesteps for transport of the substances while calling a chemical phenomena framework that determines speciation of the substances; and generate results for the field scenario based on the execution of the fluid dynamics simulator.

20. One or more computer-readable storage media comprising processorexecutable instructions to instruct a computing system to: receive input for a field scenario that comprises fluid dynamics and chemical phenomena, wherein the input defines substances amenable to speciation; execute a fluid dynamics simulator to perform timesteps for transport of the substances while calling a chemical phenomena framework that determines speciation of the substances; and generate results for the field scenario based on the execution of the fluid dynamics simulator.

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