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38 results about "Thermodynamic equilibrium" patented technology

Thermodynamic equilibrium is an axiomatic concept of thermodynamics. It is an internal state of a single thermodynamic system, or a relation between several thermodynamic systems connected by more or less permeable or impermeable walls. In thermodynamic equilibrium there are no net macroscopic flows of matter or of energy, either within a system or between systems.

Oil and gas shaft multiphase flow simulator MphaseSim modeling method and PINN solving method

The invention discloses an oil and gas shaft multiphase flow simulator MphaseSim modeling method and a PINN solving method, and relates to the technical field of oil and gas field exploitation, and the method comprises the following steps: pre-calibrating a modeling strategy, including calibrating gas-liquid two-phase flow, and calculating the average flow velocity according to the section occupied by the gas-liquid two-phase flow; mass transfer can occur between the calibrated gas and liquid phases, but the gas and liquid phases are always in a thermodynamic equilibrium state; in calibration steady-state analysis, the mass flow of any section of the shaft is equal, and the liquid holdup is calculated through a drift-assisted equation. According to the method, on the basis of a mass-momentum-energy coupling mathematical model, the SRK state equation and the drift flow model are combined, the phase change characteristics, momentum transfer and energy conversion rules of the gas phase and the liquid phase can be accurately represented, the model sealing performance is good, and the physical significance is clear; and the device can be stably applied to different types of oil and gas well scenes such as gas wells, deep oil wells and electric submersible pump wells, has no obvious numerical value divergence problem in long shaft flow simulation, and can effectively reflect the real production state of the shaft.
Owner:BEIJING ZHONGKONGXUN INTELLIGENT TECH RES INST CO LTD

Mixed nanofluid heat transfer characteristic analysis method based on molecular dynamics

The invention relates to the technical field of nanofluid enhanced heat transfer simulation, in particular to a molecular dynamics-based mixed nanofluid heat transfer characteristic analysis method, which comprises the following steps of: constructing a molecular model comprising copper, graphene nanoparticles and an ionic liquid / water mixed base solution, and calculating the heat transfer characteristic of the mixed nanofluid through a distribution potential function and a periodic boundary condition; and performing energy minimization and molecular dynamic relaxation to achieve thermodynamic equilibrium. A steady-state temperature gradient is established based on the unbalanced molecular dynamics principle, and the thermal conductivity is calculated according to the Fourier law. Microcosmic parameters such as a radial distribution function, mean square displacement and the number of hydrogen bonds are synchronously analyzed, and a coupling mechanism of interaction and heat transfer performance of the nano-particle-base fluid interface is disclosed. According to the method, the heat transfer characteristic of the mixed nanofluid can be clarified on the molecular scale, and an efficient and reliable analysis means is provided for nanofluid screening and design in application of a solar heat collector, a heat management system and the like.
Owner:KUNMING UNIV OF SCI & TECH

Transmission conductor glaze ice coating growth modeling and simulation method

PendingCN121234659ADesign optimisation/simulationEulerian lagrangianAqueous droplet
A transmission conductor glaze ice coating growth modeling and simulation method comprises the steps that an air flow field control equation is established, and the local collision coefficient of water drops and the surface of a conductor is solved based on the Euler-Lagrangian method; the method comprises the following steps: dispersing the surface of an iced conductor into a plurality of infinitesimal control bodies, establishing a mass conservation equation of each infinitesimal, and carrying out partition modeling on a surface thin water film flow process; constructing an infinitesimal energy conservation equation according to a thermodynamic equilibrium principle, and calculating a water drop freezing coefficient by balancing multiple energy input and output items; combining the collision coefficient and the freezing coefficient to establish an icing growth thickness calculation model; and setting physical parameters and boundary conditions in a finite element simulation environment, and simulating an icing growth process to obtain a glaze icing three-dimensional shape. According to the method, icing key parameters can be accurately calculated, the relative error between a simulation result and actual icing is lower than 5%, the defect of a wet growth icing theory is overcome, data support is provided for torsion, galloping and other problems caused by wire icing, and power transmission line icing prediction, analysis and prevention and control can be assisted.
Owner:TSINGHUA SHENZHEN INTERNATIONAL GRADUATE SCHOOL +1

Silicon carbide crystal low stress growth apparatus and method

This invention discloses a low-stress growth apparatus and method for silicon carbide crystals. The growth apparatus includes a crucible, a seed crystal lifting rod, and a seed crystal holder. The seed crystal lifting rod extends vertically into the crucible from the top. The top of the seed crystal holder is the connection surface with the seed crystal lifting rod, and the bottom of the seed crystal holder is the connection surface with the seed crystal. The bottom of the seed crystal lifting rod is connected to the top of the seed crystal holder. The seed crystal holder has a gradient cross-section structure, with the bottom cross-section being larger than its top cross-section. This invention optimizes the temperature field distribution and the seed crystal holder structure, reducing the problem of excessive internal stress in the crystal due to thermal mismatch. It allows the crystal to grow in a near-thermodynamic equilibrium state with a smaller internal temperature difference, providing a foundation for the sustainable growth of large-size, high-quality SiC single crystals.
Owner:TIANJIN UNIVERSITY OF TECHNOLOGY

Natural hydrogen cause identification method based on cluster isotope

The invention discloses a natural hydrogen formation cause identification method based on cluster isotope, which comprises the following steps: obtaining a purified hydrogen sample to be detected through separation and purification treatment; performing cluster isotope measurement on the purified hydrogen sample to obtain a cluster isotope value representing the abundance deviation random distribution degree of the dideuterium molecules; when it is judged that the cluster isotope value is in the original thermodynamic equilibrium state, the formation temperature of the purified hydrogen sample is inverted according to the theoretical function relation between the cluster isotope value and the thermodynamic equilibrium temperature; and comparing the formation temperature with a pre-established formation temperature range of different cause types of natural hydrogen, and determining the cause type of the purified hydrogen sample. According to the method, the cluster isotope delta DD is introduced as an anti-interference core index, and multi-source information verification and temperature quantitative inversion are combined, so that a fundamental breakthrough of the natural hydrogen cause from qualitative speculation to accurate quantitative judgment is realized.
Owner:YANGTZE UNIVERSITY

High-performance lithium-rich manganese-based positive electrode material and controllable oxygen partial pressure preparation method thereof

The invention discloses a method for accurately regulating and controlling oxygen vacancy concentration in a lithium-rich layered oxide positive electrode material and application of the method. According to the method, a controllable oxygen partial pressure environment is established by utilizing a CO / CO2 mixed gas pair on the basis of a pyrometallurgy principle, and the proportion of Mn < 4 + > / Mn < 3 + > in the material and the corresponding oxygen vacancy concentration are accurately regulated and controlled through a thermodynamic equilibrium process. According to the method, the oxygen vacancy concentration can be continuously and accurately controlled in an extremely wide oxygen partial pressure range (10 <-0.7 > to 10 <-10 > atm), and foreign impurities are not introduced. Along with the increase of oxygen vacancy concentration, lattice expansion and superstructure enhancement of the material occur, so that the activity and reversibility of the anion oxidation-reduction reaction are remarkably optimized. Experiments show that the lithium-rich positive electrode material treated by the method under the optimized condition shows higher specific capacity and improved cycle stability.
Owner:CENT SOUTH UNIV

A method for determining high-temperature phase equilibrium of a vacuum-sealed residue containing titanium suboxide oxide

This invention belongs to the field of thermodynamics and phase equilibrium measurement technology of metallurgical slag, and discloses a high-temperature phase equilibrium determination method for vacuum-sealed slag systems containing low-valent titanium oxides. The raw materials are roasted or dried; they are placed in a high-temperature resistant container according to a preset composition ratio, placed inside a quartz tube, and a deoxidizer is added; after vacuum preheating, argon gas washing, and adjustment of the vacuum level inside the tube, the slag is high-temperature sealed to form a thermodynamically closed system; the slag sample is held at the experimental temperature until it reaches thermodynamic equilibrium, and after the holding period, it is rapidly quenched to preserve the high-temperature phase structure; finally, the phase equilibrium is determined through characterization. This invention uses a closed system to effectively isolate external gas interference, and relies on the slag sample's own redox equilibrium to autonomously establish and maintain the ultra-low oxygen potential required for the stable existence of low-valent titanium oxides. This solves the technical problem that traditional atmosphere-controlled oxygen methods cannot meet the phase equilibrium determination of slag systems containing low-valent titanium oxides, and achieves accurate and reliable determination of the phase diagram of slag systems containing low-valent titanium oxides at steelmaking temperatures.
Owner:NORTHEASTERN UNIV CHINA

Two-stage plasma catalytic carbon dioxide methanation reaction device

PendingCN122273444APtru catalystMethanation
This invention discloses a two-stage plasma-catalyzed carbon dioxide methanation reactor in the field of plasma catalysis, comprising: a reactor, which is a cylindrical reactor with a closed top and bottom, divided into an inner reaction chamber and an outer reaction chamber by an insulating cylinder; the inner reaction chamber and the outer reaction chamber are respectively provided with an inlet and an outlet at their tops; an electrode assembly, including a high-voltage electrode and a grounding electrode, respectively disposed in the inner reaction chamber and the outer reaction chamber, both of which are electrically connected to a high-voltage power supply; a dehydration structure, disposed at the bottom of the reactor and connected to both the inner and outer reaction chambers; and a catalyst, including a first catalyst and a second catalyst. The beneficial effects of this invention are: by setting up two reaction chambers and setting up a dehydration device between the two reaction chambers, the thermodynamic equilibrium is shifted in a direction favorable to methanation, and the second reaction chamber utilizes the heat from the first reaction chamber, thus saving more energy.
Owner:ZHENGZHOU UNIV

Digital twinborn-based real-time accounting method and system for greenhouse gas emission in chemical process

The invention provides a real-time check calculation method and system for greenhouse gas emission in a chemical process based on digital twinning, and relates to the technical field of chemical carbon check calculation. The method comprises the steps that the total flow of process gas flow in a natural gas hydrogen production device and accurate concentration data of methane, carbon monoxide and carbon dioxide in inlet and outlet gas flow are collected; on the basis of the real-time data and the total flow, a carbon element digital twinborn model is constructed, and an observation data sequence representing the natural gas hydrogen production reaction process is formed in the carbon element digital twinborn model. And in the twin model, establishing a model taking the catalyst activity as a hidden state, and deducing a catalyst activity sequence reflecting the dynamic change of the reaction thermodynamic equilibrium state. And furthermore, a carbon element flow network is dynamically constructed according to the active sequence, the conversion amount from carbon elements with methane as a source to carbon dioxide is calculated in real time, the greenhouse gas emission amount in the production process is accurately calculated according to the conversion amount, and real-time accurate calculation of the greenhouse gas emission related to the natural gas hydrogen production reaction in the chemical process can be realized.
Owner:TIANJIN ACAD OF ECOLOGICAL & ENVIRONMENTAL SCI

Method for optimizing the structure of a silicon steel inhibitor by dew point regulation

The application belongs to the technical field of manufacturing high-magnetic-induction oriented silicon steel, and particularly relates to a method for optimizing inhibitor structure of silicon steel by dew point control, which comprises the following steps: obtaining silicon steel, and normalizing the silicon steel to obtain optimized silicon steel; the temperature of the normalizing is 1080-1120 DEG C, the holding time is 1-3 min, the dew point is 5-35 DEG C, the atmosphere is nitrogen, and the cooling mode is specifically as follows: rapidly cooling to room temperature at a cooling rate of greater than 15 DEG C / s. The application adopts a specific positive dew point range, achieves thermodynamic equilibrium control, realizes the synergistic effect of "surface trace oxidation / inner oxidation" and "high-temperature decarburization", thereby optimizing inhibitor precipitation kinetics and purifying grain boundaries, and finally achieving the purpose of greatly improving the magnetic properties of finished products.
Owner:BAOTOU WEIFENG NEW MATERIAL CO LTD

A power transmission line icing dynamic prediction method and system

This invention relates to the field of smart grid transmission line monitoring technology, and discloses a method and system for dynamic prediction of icing on transmission lines. It mainly addresses the problems of low prediction accuracy and poor generalization ability of existing pure data-driven prediction models in wind-ice coupling and complex micro-topographic environments, as well as in extreme weather conditions. The method includes: acquiring micro-meteorological, conductor tension, and DEM micro-topographic data of the transmission network; extracting wind-induced equivalent tension from conductor tension using a gaseous physical model to extract pure ice load characteristics unaffected by wind load; constructing a spatial topology map of the transmission network, integrating micro-topographic labels and other features, and inputting it into a spatiotemporal graph neural network; extracting spatiotemporal evolution features using a network model containing physical penalty terms in the thermodynamic equilibrium equation for water droplet freezing, and outputting a dynamic icing thickness distribution map; finally, calculating the unbalanced tension risk and generating a de-icing scheduling strategy.
Owner:北京峰玉科技有限公司

A forecast system assimilating weather radar data

The application discloses a kind of assimilation weather radar data's prediction system, specifically related to weather forecasting field, including radar data acquisition module, physical knowledge construction module, physical constraint extraction module, multi-source data assimilation module and industry risk index generation module.A kind of assimilation weather radar data's prediction system is realized to the hierarchical physical discrimination and suppression of ground clutter and superrefraction echo by radar data acquisition module, improves the data reliability of meteorological decision basis in asset dispatching management scene;Through physical constraint extraction module, the multi-objective joint optimization of microphysical process constraint, thermodynamic equilibrium constraint and non-meteorological noise suppression is realized, the credibility of meteorological element deduction result in high-reliability commercial scene is significantly improved, so that the generated feature analysis field has the physical rationality of supporting key asset management decision, improves the scientificity of administrative decision basis and the accuracy of financial risk assessment.
Owner:YUNHAI ZHICHUANG (JIANGSU) TECHNOLOGY CO LTD

Single-cycle rapid densification of carbon / carbon components for air and space applications

A method of producing a densified carbon fiber reinforced carbon (carbon / carbon) component includes placing a carbon / carbon preform and preform heater(s) into a reactor vessel with an immersing quantity of a precursor liquid (e.g., hydrocarbon). The reactor vessel includes a condenser for condensing precursor gases (e.g., carbonaceous gases) produced during densification and thereby maintain a thermodynamic equilibrium. Electrical current is supplied to the preform heater over a multi-hour period of densification in which the precursor liquid is continually boiled and the precursor gases continually produced. The current is sufficient to maintain the preform at a densification temperature above a precursor cracking temperature, thereby causing the precursor gases to be diffused into the preform and dissociated gas species to be deposited. Densification begins within the preform and advances outwardly along a densification front until completion.
Owner:TEXTRON SYSTEMS CORP

Membrane reactor for reaction-separation coupling process

ActiveCN224236782UStable hydrophilic nanochannelsBreaking the Limits of Thermodynamic EquilibriumChemical/physical processesHollow fibreFiber
The utility model belongs to the technical field of carbon dioxide hydro-conversion, particularly relates to a membrane reactor for a reaction-separation coupling process, and aims to solve the problem of performance failure of the membrane reactor in a high-temperature environment in the background technology, the following scheme is provided: the membrane reactor comprises a reaction tube body, end covers are screwed on the outer walls of two ends of the reaction tube body, and the end covers are screwed on the outer walls of two ends of the reaction tube body; a product gas outlet is welded to one end of the outer wall of the bottom of the reaction tube body, a feed gas inlet is welded to the other end of the outer wall of the top of the reaction tube body, and a purge gas outlet is welded to the outer wall of one side of one end cover. The NaA molecular sieve membrane loaded by the ceramic hollow fiber carrier is adopted, a compact and defect-free zeolite membrane layer is formed through a multi-time in-situ growth process, the membrane can still keep a stable hydrophilic nano channel (the aperture is 0.4 nm) at the temperature of 300-400 DEG C and the high pressure of 4 MPa, water molecules are preferentially adsorbed and permeated, the thermodynamic equilibrium limitation is effectively broken, and compared with a traditional molecular sieve membrane, the membrane has the advantages that the membrane is simple in structure and convenient to use, and the cost is low. The thermal stability is obviously improved.
Owner:GREEN CARBON ENERGY TECH (CHANGZHOU) CO LTD

Physical mechanism fused microscopic structure intelligent identification and quantitative evaluation method

The invention relates to the technical field of physical and chemical detection of metal materials, in particular to an intelligent microscopic structure recognition and quantitative evaluation method fusing a physical mechanism, which comprises the following steps of: performing adaptive contrast enhancement on a metallographic image by using a grain boundary corrosion potential difference, and constructing a high signal-to-noise ratio physical characteristic field; a topology reconstruction model fusing a martensite phase transformation mechanism, flow field dynamics simulation and thermodynamic equilibrium repair is constructed, and a closed grain network conforming to physical authenticity is reduced; based on the reconstructed crystal grain topology network, realizing multidimensional quantitative characterization and anti-noise rating of the effective size, shape anisotropy and texture orientation of the crystal grains through an equivalent ellipse fitting and area weighting algorithm; a local variable coefficient thermodynamic diagram is generated through sliding window scanning, and quantitative evaluation is carried out on the tissue heterogeneity. According to the method, the problems of incomplete grain boundary identification, statistical rating distortion and local defect missing detection in the prior art are effectively solved, and automatic early warning of local coarse grain and mixed crystal risks of the high-performance metal material is realized.
Owner:YANSHAN UNIV

High-temperature and high-pressure natural gas solubility determination and isotope fractionation simulation experiment device and method

The invention discloses a high-temperature and high-pressure natural gas solubility determination and isotope fractionation simulation experiment device and method. The device comprises a gas supply module, a liquid supply module, an integrated reaction kettle, a vacuum module, an independent double-path gas collection module, a test analysis module and a computer control system. The method comprises the following steps: injecting a solution and natural gas into a reaction kettle until dissolution equilibrium, and introducing a state equation to directly calculate theoretical dissolved gas volume and solubility; independently collecting residual free gas in an equilibrium state and overall desolventized gas, determining isotopes, and calculating a thermodynamic equilibrium fractionation coefficient in the dissolution process; natural gas is induced to be continuously desolventized, instantaneous desolventized gas is collected in sections, isotopes are measured, and solvokinetic fractionation parameters are calculated in combination with a Rayleigh model. The whole process is completed in situ in the same kettle body, fluid transfer errors are thoroughly eliminated, and a reliable evaluation means is provided for deep natural gas reservoir forming simulation.
Owner:SANYA MARINE OIL & GAS RESEARCH INSTITUTE NORTHEAST PETROLEUM UNIVERSITY

An energy storage system and control method for micro mobile nuclear power source waste heat utilization

PendingCN122650737ANuclear powerThermodynamic equilibrium
The application discloses a kind of energy storage systems and control methods for micro mobile nuclear power source waste heat utilization, system includes integrated in container carrier exhaust gas passage, multiple movable reaction bed and transmission structure;Multiple ladder temperature zones are distributed in the exhaust gas passage along the direction of airflow;The movable reaction bed is loaded with zeolite loaded magnesium sulfate composite medium, and each stage reaction bed is equipped with mass sensor.The application drives the reaction bed to displace in temperature zone by transmission structure, and constructs countercurrent cascade heat exchange field;Control system determines the thermodynamic equilibrium state of medium in the temperature zone according to mass change rate, and drives the reaction bed to change zone dynamically accordingly, realizes that medium traverses different temperature environment in physical space.The application effectively optimizes the consistency of the dehydration degree of heat storage medium, significantly improves the energy storage density of system, and is highly adapted to the mobilization deployment needs of micro nuclear power source.
Owner:XI AN JIAOTONG UNIV

Method for regulating and controlling nano structure of metal / carbon composite material based on precursor pyrolysis kinetic difference

The invention discloses a method for regulating and controlling a nano structure of a metal / carbon composite material based on precursor pyrolysis kinetic difference, relates to the technical field of nano functional materials, and solves the problems of particle aggregation and homogenization caused by thermodynamic equilibrium in traditional heat treatment through a'kinetic confinement 'mechanism. According to the metal / carbon composite material and the preparation method thereof, cross-scale precise customization of microstructures such as nano magnetic units and catalytic active sites is achieved, and the preparation method of the metal / carbon composite material is low in energy consumption, short in period and suitable for large-scale preparation of electromagnetic shielding, wave absorbing and catalytic materials.
Owner:ANHUI GLANCO NEW MATERIAL TECH CO LTD

Biomass gasification reaction modeling method and system based on physical information neural network

The present application relates to the technical field of biomass energy process modeling, and discloses a biomass gasification reaction modeling method and system based on a physical information neural network.The method comprises the following steps: obtaining original gasification data and performing data tensorization to obtain a characteristic tensor; training an adversarial network model to generate an enhanced gasification characteristic data set covering unseen working conditions; constructing a residual double-flow network architecture including a thermodynamic equilibrium subnetwork for calculating a theoretical benchmark and a non-equilibrium dynamics subnetwork for learning deviation correction; constructing a physical constraint loss function to fine-tune the residual double-flow network architecture, thereby obtaining a physical constraint optimization model; and performing reverse optimization on the physical constraint optimization model to output optimized operation parameters.The present application solves the problems of prediction deviation and violation of physical laws of traditional models, realizes a functional closed loop from high-precision prediction to active process optimization, and significantly improves the prediction accuracy and generalization ability of the model under raw material fluctuations.
Owner:JIANGSU GUOXIN RESEARCH INSTITUTE CO LTD

A core gradient temperature-controlled sulfur recovery system and method

The application discloses a core gradient temperature control sulfur recovery system and method, which comprises: a first reactor, in which an upper adiabatic catalytic reaction zone and a lower isothermal catalytic reaction zone are sequentially arranged; the lower isothermal catalytic reaction zone controls the reaction temperature to be lower than the upper zone through an embedded heat extraction device; a second reactor, in which a Claus reaction zone and a hydrogenation reaction zone are arranged; the Claus reaction zone controls the reaction temperature to be lower than the lower isothermal catalytic reaction zone of the first reactor and higher than the sulfur dew point temperature; a third reactor, which is an adiabatic oxidation reactor; a dynamic temperature control unit, which is based on a thermodynamic equilibrium nonlinear model of sulfur vapor partial pressure and sulfur dew point temperature, on-line monitors the sulfur vapor partial pressure at the outlet of the lower section of the first reactor, calculates the sulfur dew point temperature in real time, and dynamically adjusts the heat extraction amount of the embedded heat extraction device, so that the temperature of the lower isothermal catalytic reaction zone is always higher than the real-time sulfur dew point temperature. In this way, a balance between high sulfur recovery rate and long-period stable operation is achieved.
Owner:LUOYANG RUICHANG ENVIRONMENGTAL ENGINEERING CO LTD +1

A method for plasma temperature calculation for CF-LIPS quantitative analysis

This invention discloses a plasma temperature calculation method for CF-LIPS quantitative analysis, relating to the field of elemental composition detection technology. The method includes: S1, assuming n elements and m data points participate in the calculation, establishing a linear model of the elements based on their spectral lines and related spectral parameters; S2, constructing a model matrix based on the m data points; S3, constructing a target loss function using the least squares method; S4, calculating the optimal model parameters of the target loss function constructed in step S3; and S5, calculating the relative abundance of the elements using the Saha-Boltzmann plot method. The method provided by this invention is based on the consistency of plasma temperature for each element under local thermodynamic equilibrium conditions in the CF-LIPS method. It can solve the problems of difficulty in determining plasma temperature for trace components due to sparse spectral lines and large temperature differences between different components, and can effectively improve the quantitative accuracy of CF-LIPS.
Owner:CHINA INSTITUTE OF ATOMIC ENERGY

Molecular dynamics-based method for predicting thermophysical properties of polar surface liquid membranes

The application discloses a polar surface liquid film thermal property prediction method based on molecular dynamics, relates to the technical field of microcosmic thermal property simulation, and comprises the following steps: constructing an initial simulation system containing a polar solid surface and polar liquid molecules, obtaining a stable system through temperature and pressure control and energy minimization, and running to thermodynamic equilibrium; extracting molecular trajectory data from the equilibrium system, calculating density distribution and molecular orientation distribution of a liquid film region, and obtaining microstructure characterization data; based on the same trajectory data, applying a Green-Kubo formula to calculate a heat flow autocorrelation function of the liquid film region, and obtaining a thermal conductivity prediction value of the region through time integral processing; and combining the microstructure data and the thermal conductivity prediction value, and analyzing an influence mechanism of a polar surface effect on liquid film thermal properties.
Owner:YANTAI UNIV

Gas well carbon dioxide change rate solving method and system

The invention relates to the technical field of offshore gas reservoir wellhead gas production component research, in particular to a gas well carbon dioxide change rate solving method and system, and the method comprises the steps: deducing a concentration change rate equation of carbon dioxide at different heights of a gas reservoir through a thermodynamic equilibrium formula; based on the gas reservoir exploitation dynamic parameters, a variable representing the height in the concentration change rate equation is converted into a variable representing the time, and a prediction model of the carbon dioxide concentration at the gas reservoir wellhead along with the time change is obtained; calculating the change rate of the carbon dioxide concentration at the wellhead along with time by using the prediction model; and comparing and verifying the calculated change rate with actual manual detection data, and predicting the carbon dioxide content at the wellhead by using the prediction model after the precision requirement is met. According to the method, the gas well carbon dioxide change rate is quantified through physical theory derivation, and accurate, efficient and interpretable prediction on the wellhead carbon dioxide change is simply and conveniently realized.
Owner:HAINAN BRANCH OF CHINA NATIONAL OFFSHORE OIL (CHINA) CO LTD

Particle reinforced metal matrix composite modeling method for molecular dynamics simulation

The invention belongs to the technical field of metal matrix composite modeling, and particularly relates to a particle reinforced metal matrix composite modeling method for molecular dynamics simulation, which comprises the following steps: establishing a metal matrix atomic model based on crystal structure information of a target matrix material; defining and removing a preset spherical region in the model to form a spherical cavity; constructing a spherical reinforced particle atomic model matched with the size of the cavity, and embedding the spherical reinforced particle atomic model into the corresponding cavity to generate a composite material initial model; and sequentially performing structural relaxation treatment on the initial model under the conditions of energy minimization and constant temperature and constant pressure to obtain a stable atomic model reaching a thermodynamic equilibrium state. By accurately controlling geometric parameters of the cavities and the particles, controllable design of the number, the position, the size and the volume ratio of the reinforced particles is realized, and the problem of atom overlapping is fundamentally avoided; in addition, the multi-particle uniform distribution modeling is supported, and the multi-scale combination design of reinforced particles with different sizes can be realized.
Owner:ANHUI UNIV

Chemical kinetics measurement method for air dissociation process

The invention provides a chemical kinetics measurement method for an air dissociation process, which comprises the following steps: synchronously detecting an air dissociation area by using a multi-channel spectrograph and a wide-spectrum radiometer to respectively obtain a multi-band spectral signal and a wide-spectrum thermal radiation energy spectrum signal; on the basis of the multiband spectral signal, identifying characteristic spectral lines of the target component and the free electron, and determining radiation intensity corresponding to each dissociation product; according to the radiation intensity corresponding to each dissociation product, combining with a local thermodynamic equilibrium or non-equilibrium radiation transfer model to invert instantaneous concentration distribution of each dissociation product; analyzing the dynamic thermal relaxation characteristic of the wide-spectrum thermal radiation energy spectrum signal to obtain the real-time temperature field and electron density data of the reaction area; and taking the instantaneous concentration distribution, the electron density and the temperature field data of each dissociation product as boundary conditions, substituting the boundary conditions into a rate equation set containing a non-equilibrium chemical-ionization reaction path, and determining a rate constant and a dominant path of a target reaction.
Owner:CHINA ACAD OF AEROSPACE AERODYNAMICS +1

Method for obtaining electrochemical properties during hydrocarbon exploitation

The present application relates to the field of oil and gas exploitation, and in particular, to a method for obtaining electrochemical properties in the process of oil and gas exploitation, comprising: constructing a chemical reaction network between shale and external fluid; constructing a surface complexation model and a diffusion double layer model, setting initial values of thermodynamic equilibrium constant and initial values of charge density of shale; obtaining theoretical values of Zeta potential through the surface complexation model and the diffusion double layer model; when the theoretical values of Zeta potential and actual values of Zeta potential meet the convergence condition, obtaining electrochemical properties of shale after contacting with external fluid; wherein the actual values of Zeta potential are measured through laboratory experiments. The theoretical values of Zeta potential obtained by the above method are relatively accurate, and multiple electrochemical properties of shale after contacting with external fluid can be efficiently and conveniently obtained based on the theoretical values of Zeta potential, which provides analysis data and scientific guidance for subsequent efficient development of shale oil reservoirs.
Owner:NORTHEAST GASOLINEEUM UNIV

A fluorine-containing mixed acid waste liquid treatment and recovery method and system based on thermodynamic equilibrium control

The application discloses a fluorine-containing mixed acid waste liquid treatment and recovery method and system based on thermodynamic equilibrium control, and belongs to the technical field of industrial wastewater treatment. The method comprises the following steps: S1, mixing and reacting fluorine-containing silicon-containing mixed acid waste liquid with a precipitant, and performing solid-liquid separation to obtain a solid byproduct and an acid filtrate; S2, sending the acid filtrate into a rectification system to be heated and evaporated, monitoring and controlling the concentration of hydrofluoric acid in the liquid phase at the bottom of a kettle in real time, inhibiting the generation of silicon tetrafluoride by using the common ion effect, and controlling the partial pressure of silicon tetrafluoride in the gas phase to be lower than the critical threshold P max of silicon dioxide precipitation by thermodynamic equilibrium counter calculation; S3, condensing and recycling regenerated mixed acid from the gas phase of the rectification system, and discharging the enriched liquid at the bottom of the kettle to recover nitrate. The application introduces a thermodynamic control model, solves the problem of fouling and plugging of the condensation system caused by the decomposition of fluorosilicic acid to generate SiF4 from the mechanism, and realizes long-period stable operation of the device and efficient recovery of fluorine, silicon and nitric acid resources.
Owner:NANJING GUANSHAN CHEM TECH

Molecular dynamics-based method for predicting thermophysical properties of polar surface liquid membranes

ActiveCN122157910BHeat flowEnergy minimization
The application discloses a polar surface liquid film thermal property prediction method based on molecular dynamics, relates to the technical field of microcosmic thermal property simulation, and comprises the following steps: constructing an initial simulation system containing a polar solid surface and polar liquid molecules, obtaining a stable system through temperature and pressure control and energy minimization, and running to thermodynamic equilibrium; extracting molecular trajectory data from the equilibrium system, calculating density distribution and molecular orientation distribution of a liquid film region, and obtaining microstructure characterization data; based on the same trajectory data, applying a Green-Kubo formula to calculate a heat flow autocorrelation function of the liquid film region, and obtaining a thermal conductivity prediction value of the region through time integral processing; and combining the microstructure data and the thermal conductivity prediction value, and analyzing an influence mechanism of a polar surface effect on liquid film thermal properties.
Owner:YANTAI UNIV

Mix proportion optimization method for mass concrete with high delayed hydration heat release

The invention discloses a mass concrete mix proportion optimization method capable of releasing hydration heat in a high-delay manner, which comprises the following steps: constructing a staged hydration heat release model and independently calibrating model parameters by stages through a hybrid optimization algorithm to realize accurate calibration of hydration heat kinetic parameters; constructing a fitness function of a hydration heat peak value, temperature peak time, 28-day compressive strength and interface thermal resistance, and generating a mix proportion Pareto optimal solution by adopting a target genetic algorithm; wherein the hydration heat peak value and the temperature peak time are iteratively solved by a staged hydration heat model and a thermodynamic equilibrium equation. According to the scheme, high-delay heat release and low-temperature stress multi-target cooperation of mass concrete is achieved, the problems that a traditional model is large in temperature peak prediction error and unbalanced in multi-target performance are solved, the method is suitable for large-size projects such as bridge bearing platforms, and collaborative optimization of high-delay heat release and performance is achieved.
Owner:CCCC FOURTH HARBOR ENG INST CO LTD +1

Method for optimizing silicon steel inhibitor structure through dew point regulation and control

The invention belongs to the technical field of manufacturing of high-magnetic-induction oriented silicon steel, and particularly relates to a method for optimizing a silicon steel inhibitor structure through dew point regulation and control, which comprises the following steps: obtaining silicon steel, and normalizing the silicon steel to obtain optimized silicon steel; the normalizing temperature is 1080-1120 DEG C, the heat preservation time is 1-3 min, the dew point is 5-35 DEG C, the atmosphere is nitrogen, and the specific cooling mode is that the temperature is rapidly cooled to the room temperature at the cooling rate larger than 15 DEG C / s. The specific positive dew point range is adopted, thermodynamic equilibrium control is achieved, and the synergistic effect of surface trace oxidation / internal oxidation and high-temperature decarburization is achieved, so that inhibitor precipitation kinetics is optimized, the grain boundary is purified, and finally the purpose of greatly improving the magnetic performance of a finished product is achieved.
Owner:BAOTOU WEIFENG NEW MATERIAL CO LTD