Method, device, apparatus and storage medium for determining single mineral surface wettability

Abstract

The method, device, equipment and storage medium for determining the surface wettability of a single mineral provided in the embodiments of the present application comprise: establishing a water molecule model, a crude oil component model and a mineral model with pores respectively; loading water molecules composed of the water molecule model and crude oil components composed of the crude oil component model into the pores of the mineral model respectively; optimizing a system model; performing molecular dynamics simulation on the optimized system model to obtain a mineral model with water molecules and crude oil components in the pores; calculating the interaction energy of the mineral and water and the interaction energy of the mineral and the crude oil components respectively; and determining the oil-water wettability of the mineral surface according to the interaction energy of the mineral and water and the interaction energy of the mineral and the crude oil components. In the embodiments of the present application, a measurement environment close to geological conditions can be created, and corresponding experimental models can be established for crude oil components and mineral components, which is conducive to characterizing the heterogeneity of reservoir wettability.

Description

Technical Field

[0001] This application relates to the field of oil and gas exploration technology, and specifically to a method, apparatus, equipment and storage medium for determining the surface wettability of a single mineral. Background Technology

[0002] Wettability is the tendency of one phase of a miscible fluid to spread or adhere to a solid surface. The commonly used contact angle method for determining wettability primarily characterizes wettability by analyzing the three-phase contact angles between a solid surface and between oil and water or air in a water or air environment. Its advantages include simple measurement technique and a testing range from strong water wetting to strong oil wetting. However, the measurement results are sometimes not unique. Different locations within the same rock sample exhibit different mineral compositions, resulting in varying wettability results. This demonstrates that the heterogeneity of minerals leads to variations in rock wettability, and the wettability of a single mineral is the determining factor in rock wettability. Furthermore, current wettability measurements are often conducted at room temperature, making it difficult to reflect the influence of temperature on mineral wettability.

[0003] Hydrocarbons are generated, migrated, and accumulated in environments saturated with formation water. Formation water and hydrocarbons are two important fluids in rock pores. The contact angle of underground hydrocarbon fluids on mineral surfaces is determined by the properties of the three phases of mineral, hydrocarbon, and formation water. One existing method for determining the surface wettability of reservoir rock minerals involves using atomic force microscopy to determine the wettability of the mineral-oil droplet-air three-phase system. This method has high accuracy but is difficult to determine the wettability of minerals when both oil and water phases are present on the surface, and it cannot create the temperature environment required by the formation. Another existing method for determining mineral surface wettability involves measuring the contact angle of oil droplets in water on the mineral surface to determine the wettability of a single mineral surface. This method can clearly identify the wettability of minerals when both oil and water phases are present on the surface, but it is limited to room temperature conditions and cannot determine the wettability of minerals under formation temperature conditions. Furthermore, the experimental operation is demanding and time-consuming. Summary of the Invention

[0004] In view of this, this application provides a method, apparatus, device and storage medium for determining the surface wettability of a single mineral, in order to solve the problems existing in the prior art.

[0005] In a first aspect, embodiments of this application provide a method for determining the surface wettability of a single mineral, including:

[0006] A water molecule model, a crude oil component model, and a porous mineral model were established respectively.

[0007] Water molecules composed of the water molecule model and crude oil components composed of the crude oil component model are respectively loaded into the pores of the mineral model, wherein the water molecules and the crude oil components have the same volume;

[0008] The mineral model loaded with the water molecules and the crude oil components is optimized to obtain an optimized system model;

[0009] Molecular dynamics simulations were performed on the optimized system model to obtain a mineral model containing water molecules and crude oil components in the pores;

[0010] Based on the mineral model containing water molecules and crude oil components in the pores, the interaction energy between the mineral and water and the interaction energy between the mineral and crude oil components are determined.

[0011] The oil-water wettability of the mineral surface is determined based on the interaction energy between the mineral and water and the interaction energy between the mineral and crude oil components.

[0012] In one possible implementation, a crude oil composition model is established, including:

[0013] Group composition analysis was performed on the oil produced from the rock reservoir to obtain information on the crude oil composition contained in the rock sample;

[0014] Select the component type with the highest content and its typical hydrocarbon molecules from the crude oil component information to establish a crude oil component model.

[0015] In one possible implementation, a porous mineral model is established, including:

[0016] A single mineral contained in a rock reservoir is selected, and a porous mineral model is established. The mineral model is a monolayer structure model or a multilayer structure model.

[0017] In one possible implementation, the three-dimensional spatial dimensions of the pores in the mineral model are x, y, and z, where x and y are integer multiples of the length and width of the mineral unit cell, respectively, and x is twice y, and z ≥ y.

[0018] In one possible implementation, water molecules composed of the water molecule model and crude oil components composed of the crude oil component model are respectively loaded into the pores of the mineral model, including:

[0019] Establish water molecule models and crude oil component models of the same volume respectively;

[0020] Along a direction parallel to the surface of the mineral model, water molecule models and crude oil component models of equal volume are respectively loaded into the pores of the mineral model, such that the surface of the mineral model is occupied by water molecules and crude oil components respectively, and the surface areas occupied by water molecules and crude oil components are equal.

[0021] In one possible implementation, optimizing the mineral model loaded with the water molecules and the crude oil components to obtain an optimized system model includes:

[0022] Geometric optimization was performed on the mineral model loaded with the water molecules and the crude oil components;

[0023] Annealing simulation was performed on the geometrically optimized mineral model to obtain the optimized system model.

[0024] In one possible implementation, molecular dynamics simulations are performed on the optimized system model to obtain a mineral model containing water molecules and crude oil components in the pores, including:

[0025] The optimized system model is given a force field type and simulated temperature conditions are applied to perform molecular dynamics simulations to obtain a mineral model containing water molecules and crude oil components in the pores.

[0026] In one possible implementation, based on a mineral model containing water molecules and crude oil components in the pores, the interaction energy between the mineral and water and the interaction energy between the mineral and crude oil components are determined, including:

[0027] According to the formula: ΔE m&w =(E m+o+w -E m&o -E w&o -E m -E w +E o +E m&w ) / 2 Calculate the interaction energy between the mineral and water;

[0028] According to the formula: ΔE m&o =(E m+o+w -E m&w -E w&o -E m -E o +E w +E m&o ) / 2 Calculate the interaction energy between the mineral and the crude oil components;

[0029] Where, ΔE m&w ΔE m&o E represents the interaction energy between minerals and water, and the interaction energy between minerals and crude oil components, respectively, in kcal / mol; m+o+w E represents the total energy of the system, expressed in kcal / mol. m&w E m&o E w&o These represent the energy of minerals and water, minerals and oil, and water and oil, respectively, in kcal / mol; E m E wE o These represent the energy of minerals, water, and oil, respectively, with units of kcal / mol.

[0030] In one possible implementation, determining the oil-water wettability of the mineral surface based on the interaction energy between the mineral and water and the interaction energy between the mineral and crude oil components includes:

[0031] The oil-water wettability of the mineral surface is determined based on the ratio of the interaction energy between the mineral and water to the interaction energy between the mineral and crude oil components.

[0032] In one possible implementation, determining the oil-water wettability of the mineral surface based on the ratio of the interaction energy between the mineral and water to the interaction energy between the mineral and crude oil components includes:

[0033] ΔE m&w / ΔE m&o A higher ratio indicates a more hydrophilic mineral surface;

[0034] ΔE m&w / ΔE m&o A smaller ratio indicates that the mineral surface is more oleophilic;

[0035] ΔE m&w / ΔE m&o When the ratio is close to 1, it indicates that the mineral surface is neutrally wetted;

[0036] Where, ΔE m&w ΔE m&o These represent the interaction energy between the mineral and water, and the interaction energy between the mineral and crude oil components, respectively.

[0037] Secondly, embodiments of this application provide an apparatus for determining the surface wettability of a single mineral, comprising:

[0038] The model building module is used to build water molecule models, crude oil component models, and porous mineral models, respectively.

[0039] A loading module is used to load water molecules composed of the water molecule model and crude oil components composed of the crude oil component model into the pores of the mineral model, respectively, wherein the water molecules and the crude oil components have the same volume;

[0040] The optimization module is used to optimize the mineral model loaded with the water molecules and the crude oil components to obtain an optimized system model;

[0041] The dynamics simulation module is used to perform molecular dynamics simulations on the optimized system model to obtain a mineral model containing water molecules and crude oil components in the pores;

[0042] The interaction energy determination module is used to determine the interaction energy between the mineral and water and the interaction energy between the mineral and the crude oil component based on a mineral model containing water molecules and crude oil components in the pores.

[0043] The oil-water wettability determination module is used to determine the oil-water wettability of the mineral surface based on the interaction energy between the mineral and water and the interaction energy between the mineral and crude oil components.

[0044] Thirdly, embodiments of this application provide an electronic device, including:

[0045] processor;

[0046] Memory;

[0047] And a computer program, wherein the computer program is stored in the memory, the computer program including instructions that, when executed by the processor, cause the electronic device to perform the method described in any one of the first aspects.

[0048] Fourthly, embodiments of this application provide a computer-readable storage medium including a stored program, wherein, when the program is executed, it controls the device where the computer-readable storage medium is located to perform the method described in any one of the first aspects.

[0049] The technical solution provided in this application can determine the wettability of different single mineral surfaces, which improves the previous method of measuring wettability by placing minerals and oil droplets in the air. It can create different temperature conditions, provide parameters for accurately identifying the oil-water wettability of reservoir rock mineral surfaces, and also determine the wettability of reservoir rock minerals under geological conditions, which is beneficial for characterizing the heterogeneity of reservoir wettability. Attached Figure Description

[0050] To more clearly illustrate the technical solutions of the embodiments of this application, the drawings used in the embodiments will be briefly introduced below. Obviously, the drawings described below are only some embodiments of this application. For those skilled in the art, other drawings can be obtained based on these drawings without creative effort.

[0051] Figure 1 This application provides a schematic flowchart of a method for determining the surface wettability of a single mineral.

[0052] Figure 2 This application also provides a structural block diagram of an apparatus for determining the surface wettability of a single mineral;

[0053] Figure 3 This is a schematic diagram of the structure of an electronic device provided in an embodiment of this application. Detailed Implementation

[0054] To better understand the technical solution of this application, the embodiments of this application will be described in detail below with reference to the accompanying drawings.

[0055] It should be understood that the described embodiments are merely some, not all, of the embodiments in this application. All other embodiments obtained by those skilled in the art based on the embodiments in this application without inventive effort are within the scope of protection of this application.

[0056] The terminology used in the embodiments of this application is for the purpose of describing particular embodiments only and is not intended to be limiting of this application. The singular forms “a,” “the,” and “the” used in the embodiments of this application and the appended claims are also intended to include the plural forms unless the context clearly indicates otherwise.

[0057] It should be understood that the term "and / or" used in this article is merely a description of the relationship between related objects, indicating that three relationships can exist. For example, A and / or B can represent: A existing alone, A and B existing simultaneously, or B existing alone. Additionally, the character " / " in this article generally indicates that the preceding and following related objects have an "or" relationship.

[0058] To address the problems existing in the prior art, this application provides a method for determining the surface wettability of a single mineral. This method can determine the wettability of a single mineral-oil-water three-phase system, can create a temperature environment under formation conditions, and the determination results are closer to the actual underground situation. It does not require experimental samples, has a wide range of applications, and can measure the wettability of any single mineral surface. The specific implementation method is described in detail below.

[0059] See Figure 1 This is a schematic flowchart of a method for determining the surface wettability of a single mineral, provided in an embodiment of this application. Figure 1 As shown, it mainly includes the following steps.

[0060] Step S101: Establish water molecule model, crude oil component model and porous mineral model respectively.

[0061] In practice, the method for establishing a crude oil composition model includes: performing group composition analysis on the oil produced from the rock reservoir to obtain information on the crude oil composition contained in the rock sample; selecting the component type with the highest content and its typical hydrocarbon molecules from the crude oil composition information to establish a crude oil composition model.

[0062] In specific implementation, establishing a porous mineral model includes: selecting a single mineral contained in the rock reservoir and establishing a porous mineral model, which can be a monolayer structure model or a multilayer structure model. In one possible implementation, the three-dimensional spatial dimensions of the pores in the mineral model are x, y, and z, where x and y are integer multiples of the length and width of the mineral unit cell, respectively, and x is twice y, and z ≥ y.

[0063] Step S102: Water molecules composed of water molecule models and crude oil components composed of crude oil component models are loaded into the pores of the mineral model, respectively, wherein the water molecules and crude oil components have the same volume.

[0064] Specifically, water molecule models and crude oil component models of equal volume are established. Along a direction parallel to the surface of the mineral model, the water molecule models and crude oil component models of equal volume are loaded into the pores of the mineral model, such that the surface of the mineral model is occupied by water molecules and crude oil components respectively, and the surface areas occupied by water molecules and crude oil components are equal. That is, approximately 50% of the surface area of ​​the mineral model is occupied by water molecules, and the remaining approximately 50% of the surface area is occupied by crude oil components. It should be noted that the "same" and "equal" involved in the embodiments of this application are not strictly identical or absolutely equal. In other words, the "same" and "equal" involved in the embodiments of this application can be understood as "approximately the same" and "approximately equal".

[0065] Step S103: Optimize the mineral model loaded with water molecules and crude oil components to obtain the optimized system model.

[0066] Specifically, firstly, the mineral model loaded with water molecules and crude oil components is geometrically optimized. This step can be repeated multiple times (e.g., setting a maximum of 50,000 iterations) until the convergence curve indicates convergence. Secondly, the geometrically optimized mineral model is subjected to annealing simulation. In one possible implementation, the annealing period is set to 10, the initial temperature to 300K, and the maximum temperature to 1000K. Using the NVT ensemble, a lower-energy system model is obtained, i.e., the optimized system model.

[0067] Step S104: Perform molecular dynamics simulation on the optimized system model to obtain a mineral model containing water molecules and crude oil components in the pores.

[0068] Specifically, the force field type was set for the optimized system model, and the NVT system was used to apply simulated temperature conditions to conduct molecular dynamics simulations, thereby obtaining a mineral model containing water molecules and crude oil components in the pores.

[0069] Step S105: Based on the mineral model containing water molecules and crude oil components in the pores, determine the interaction energy between the mineral and water and the interaction energy between the mineral and crude oil components.

[0070] Specifically, according to the formula: ΔE m&w =(E m+o+w -E m&o -E w&o -E m -E w +E o +E m&w ) / 2 Calculate the interaction energy between the mineral and water; according to the formula: ΔE m&o =(E m+o+w -E m&w -E w&o -E m -E o +E w +E m&o ) / 2 calculate the interaction energy between the mineral and the crude oil components; where ΔE m&w ΔE m&o E represents the interaction energy between minerals and water, and the interaction energy between minerals and crude oil components, respectively, in kcal / mol; m+o+w E represents the total energy of the system, expressed in kcal / mol. m&w E m&o E w&o These represent the energy of minerals and water, minerals and oil, and water and oil, respectively, in kcal / mol; E m E w E o These represent the energy of minerals, water, and oil, respectively, with units of kcal / mol.

[0071] Step S106: Determine the oil-water wettability of the mineral surface based on the interaction energy between the mineral and water and the interaction energy between the mineral and crude oil components.

[0072] Specifically, after obtaining the interaction energy between minerals and water and the interaction energy between minerals and crude oil components, the ratio ΔE of the interaction energy between minerals and water and the interaction energy between minerals and crude oil components can be calculated. m&w / ΔE m&o According to ΔE m&w / ΔE m&o The size determines the oil and water wettability of the mineral surface.

[0073] In one possible implementation, ΔE m&w / ΔE m&o A larger ratio indicates that the mineral surface is more hydrophilic; ΔE m&w / ΔE m&oA smaller ratio indicates a more oleophilic mineral surface; ΔE m&w / ΔE m&o When the ratio is close to 1, it indicates that the mineral surface is neutrally wetted.

[0074] The technical solution provided in this application can determine the wettability of different single mineral surfaces, improving upon previous methods that involved placing minerals and oil droplets in air for wettability measurement. This method creates different temperature conditions, providing parameters for accurately identifying the oil-water wettability of reservoir rock mineral surfaces, and also enabling the determination of reservoir rock mineral wettability under geological conditions. Because this method can create a measurement environment close to geological conditions and can establish corresponding experimental models for crude oil components and mineral compositions, it is beneficial for characterizing the heterogeneity of reservoir wettability.

[0075] For ease of understanding, the following uses the illite-crude oil-water three-phase system as an example to illustrate the method for determining the surface wettability of a single mineral provided in the embodiments of this application, which mainly includes the following steps.

[0076] Step S201: Establish water molecule model, crude oil component model and porous mineral model respectively.

[0077] Specifically, illite was selected as the mineral, and C30 was selected as the crude oil component. 19 H 40 Using Materials Studio software, create illite and C# models respectively. 19 H 40 The model of water molecules was constructed, in which illite was constructed as a porous monolayer structure model with three-dimensional spatial dimensions of x = 5.22 nm, y = 2.67 nm, and z = 5.00 nm. The characteristic is that x and y are integer multiples of the length and width of the illite unit cell, respectively, and x is approximately twice y.

[0078] Step S202: Water molecules composed of water molecule models and crude oil components composed of crude oil component models are loaded into the pores of the mineral model, respectively, wherein the water molecules and crude oil components have the same volume.

[0079] Specifically, establish C with side length y respectively. 19 H 40 A cube model and a cube model of water molecules were used, and equal volumes of water and carbon were placed along a direction parallel to the mineral surface. 19 H 40 The molecules are loaded separately into the mineral pores, resulting in 50% of the illite's surface area being occupied by water molecules, and the remaining 50% being occupied by C. 19 H 40 occupy.

[0080] Step S203: Optimize the mineral model loaded with water molecules and crude oil components to obtain the optimized system model.

[0081] Specifically, for filling C 19 H 40 Geometric optimization was performed on the illite pore model of water molecules, with a maximum iteration count of 50,000. The convergence curve indicated convergence, and the optimization was terminated. Then, annealing simulation was performed on the geometrically optimized model, with an annealing period of 10, an initial temperature of 300K, and a maximum temperature of 1000K. The NVT ensemble was used to simulate a lower-energy system model.

[0082] Step S204: Perform molecular dynamics simulation on the optimized system model to obtain a mineral model containing water molecules and crude oil components in the pores.

[0083] Specifically, the force field type was set for the optimized system model, an NVT ensemble was used, the temperature was set to 27℃, and molecular dynamics simulations were performed for 1000 ps, ​​yielding results containing C. 19 H 40 Illite pore model of water molecules.

[0084] Step S205: Based on the mineral model containing water molecules and crude oil components in the pores, determine the interaction energy between the mineral and water and the interaction energy between the mineral and crude oil components.

[0085] Specifically, to ensure the reliability of the simulation results, the C content in the illite pores during the latter half of the time period (within the range of 500-1000 ps) obtained from the molecular dynamics simulation was selected. 19 H 40 The distribution model of water molecules, respectively, uses the formula: ΔE m&w =(E m+o+w -E m&o -E w&o -E m -E w +E o +E m&w ) / 2 and the formula: ΔE m&o =(E m+o+w -E m&w -E w&o -E m -E o +E w +E m&o ) / 2 Calculate illite with water, illite with C 19 H 40 The interaction energy.

[0086] Step S206: Determine the oil-water wettability of the mineral surface based on the interaction energy between the mineral and water and the interaction energy between the mineral and crude oil components.

[0087] Specifically, in obtaining illite and water, illite and C 19 H 40 After determining the interaction energy, the ratio ΔE between the interaction energy between the mineral and water and the interaction energy between the mineral and crude oil components is calculated. m&w / ΔE m&o As shown in Table 1.

[0088] Table 1:

[0089]

[0090] According to the results in Table 1, at a temperature of 27℃, the average interaction energy between illite and water is -5451.78 kcal / mol. 19 H 40 The average interaction energy is -37.65 kcal / mol. The interaction energy between illite and water and between illite and C were calculated. 19 H 40 The ratio of interaction energies ΔE m&w / ΔE m&o The average value is 145.60, indicating hydrophilicity.

[0091] It is understood that, in the embodiments of this application, the wettability of different single minerals can be determined by changing the temperature, pore size, mineral type, and crude oil composition.

[0092] Corresponding to the above embodiments, this application also provides an apparatus for determining the surface wettability of a single mineral.

[0093] See Figure 2 This application also provides a structural block diagram of a device for determining the surface wettability of a single mineral. (See diagram below.) Figure 2 As shown, it mainly includes the following modules.

[0094] The model building module 201 is used to build water molecule models, crude oil component models, and porous mineral models, respectively.

[0095] The loading module 202 is used to load water molecules composed of the water molecule model and crude oil components composed of the crude oil component model into the pores of the mineral model, respectively, wherein the water molecules and the crude oil components have the same volume;

[0096] Optimization module 203 is used to optimize the mineral model loaded with water molecules and crude oil components to obtain an optimized system model;

[0097] The kinetic simulation module 204 is used to perform molecular dynamics simulation on the optimized system model to obtain a mineral model containing water molecules and crude oil components in the pores.

[0098] The interaction energy determination module 205 is used to determine the interaction energy between the mineral and water and the interaction energy between the mineral and the crude oil component based on the mineral model containing water molecules and crude oil components in the pores.

[0099] The oil-water wettability determination module 206 is used to determine the oil-water wettability of a mineral surface based on the interaction energy between the mineral and water and the interaction energy between the mineral and crude oil components.

[0100] The technical solution provided in this application can determine the wettability of different single mineral surfaces, improving upon previous methods that involved placing minerals and oil droplets in air for wettability measurement. This method creates different temperature conditions, providing parameters for accurately identifying the wettability of oil-water reservoir rock and mineral surfaces, and also enabling the determination of reservoir rock and mineral wettability under geological conditions. Because this method can create a measurement environment close to geological conditions and can establish corresponding experimental models for crude oil components and mineral compositions, it is beneficial for characterizing the heterogeneity of reservoir wettability.

[0101] It should be noted that the specific content involved in the embodiments of this application can be found in the description of the above method embodiments, and will not be repeated here for the sake of brevity.

[0102] Corresponding to the above embodiments, this application also provides an electronic device.

[0103] See Figure 3 This is a schematic diagram of the structure of an electronic device provided in an embodiment of this application. Figure 3 As shown, the electronic device 300 may include a processor 301, a memory 302, and a communication unit 303. These components communicate via one or more buses. Those skilled in the art will understand that the electronic device structure shown in the figures does not constitute a limitation on the embodiments of this application. It may be a bus topology or a star topology, and may include more or fewer components than shown, or combine certain components, or have different component arrangements.

[0104] The communication unit 303 is used to establish a communication channel, thereby enabling the electronic device to communicate with other devices.

[0105] The processor 301 serves as the control center of the electronic device, connecting various parts of the device via various interfaces and lines. It executes software programs and / or modules stored in the memory 302, and calls data stored in the memory to perform various functions and / or process data. The processor can be composed of integrated circuits (ICs), such as a single packaged IC or multiple packaged ICs with the same or different functions connected together. For example, the processor 301 may consist only of a central processing unit (CPU). In this embodiment, the CPU may have a single processing core or include multiple processing cores.

[0106] Memory 302 is used to store the execution instructions of processor 301. Memory 302 can be implemented by any type of volatile or non-volatile storage device or a combination thereof, such as static random access memory (SRAM), electrically erasable programmable read-only memory (EEPROM), erasable programmable read-only memory (EPROM), programmable read-only memory (PROM), read-only memory (ROM), magnetic storage, flash memory, magnetic disk or optical disk.

[0107] When the execution instructions in memory 302 are executed by processor 301, the electronic device 300 is able to perform some or all of the steps in the above method embodiments.

[0108] Corresponding to the above embodiments, this application also provides a computer-readable storage medium, wherein the computer-readable storage medium may store a program, wherein when the program runs, it can control the device where the computer-readable storage medium is located to execute some or all of the steps in the above method embodiments. Specifically, the computer-readable storage medium may be a magnetic disk, an optical disk, read-only memory (ROM), or random access memory (RAM), etc.

[0109] Corresponding to the above embodiments, this application also provides a computer program product containing executable instructions that, when executed on a computer, cause the computer to perform some or all of the steps in the above method embodiments.

[0110] In this application embodiment, "at least one" refers to one or more, and "more than one" refers to two or more. "And / or" describes the relationship between related objects, indicating that three relationships can exist. For example, A and / or B can represent the existence of A alone, the simultaneous existence of A and B, or the existence of B alone. A and B can be singular or plural. The character " / " generally indicates that the preceding and following related objects are in an "or" relationship. "At least one of the following" and similar expressions refer to any combination of these items, including any combination of single or plural items. For example, at least one of a, b, and c can represent: a, b, c, ab, ac, bc, or abc, where a, b, and c can be single or multiple.

[0111] Those skilled in the art will recognize that the units and algorithm steps described in the embodiments disclosed herein can be implemented using electronic hardware, computer software, or a combination of electronic hardware and software. Whether these functions are implemented in hardware or software depends on the specific application and design constraints of the technical solution. Those skilled in the art can use different methods to implement the described functions for each specific application, but such implementation should not be considered beyond the scope of this application.

[0112] Those skilled in the art will clearly understand that, for the sake of convenience and brevity, the specific working processes of the systems, devices, and units described above can be referred to the corresponding processes in the foregoing method embodiments, and will not be repeated here.

[0113] In the several embodiments provided in this application, any function, if implemented as a software functional unit and sold or used as an independent product, can be stored in a computer-readable storage medium. Based on this understanding, the technical solution of this application, in essence, or the part that contributes to the prior art, or a part of the technical solution, can be embodied in the form of a software product. This computer software product is stored in a storage medium and includes several instructions to cause a computer device (which may be a personal computer, server, or network device, etc.) to execute all or part of the steps of the methods described in the various embodiments of this application. The aforementioned storage medium includes various media capable of storing program code, such as USB flash drives, portable hard drives, read-only memory (ROM), random access memory (RAM), magnetic disks, or optical disks.

[0114] The above description is merely a specific embodiment of this application. Any variations or substitutions that can be easily conceived by those skilled in the art within the scope of the technology disclosed in this application should be included within the protection scope of this application. The protection scope of this application should be determined by the protection scope of the claims.

Claims

1. A method for determining the surface wettability of a single mineral, characterized in that, include: A water molecule model, a crude oil component model, and a porous mineral model were established respectively. The establishment of the crude oil composition model includes: performing group composition analysis on the oil produced from the rock reservoir to obtain information on the crude oil composition contained in the rock sample; selecting the component type with the highest content and its typical hydrocarbon molecules from the crude oil composition information to establish a crude oil composition model; the establishment of a porous mineral model includes: selecting a single mineral contained in the rock reservoir to establish a porous mineral model, wherein the mineral model is a single-layer structure model or a multi-layer structure model; the three-dimensional spatial dimensions of the pores in the mineral model are x, y, and z, where x and y are integer multiples of the length and width of the mineral unit cell, respectively, and x is twice y, and z ≥ y; The step of loading water molecules composed of the water molecule model and crude oil components composed of the crude oil component model into the pores of the mineral model includes: establishing water molecule models and crude oil component models of the same volume respectively; loading the water molecule models and crude oil component models of the same volume into the pores of the mineral model along a direction parallel to the surface of the mineral model, such that the surface of the mineral model is occupied by water molecules and crude oil components respectively, and the surface areas occupied by water molecules and crude oil components are equal; wherein, the volume of water molecules and crude oil components is the same; The mineral model loaded with the water molecules and the crude oil components is optimized to obtain an optimized system model; Molecular dynamics simulations were performed on the optimized system model to obtain a mineral model containing water molecules and crude oil components in the pores; Based on a mineral model containing water molecules and crude oil components within the pores, the interaction energies between the mineral and water and between the mineral and crude oil components are determined; this step includes: according to the formula: Calculate the interaction energy between the mineral and water; according to the formula: Calculate the interaction energy between minerals and crude oil components; where, , These represent the interaction energy between the mineral and water, and the interaction energy between the mineral and crude oil components, respectively, with units of kcal / mol; This represents the total energy of the system, expressed in kcal / mol. , , These represent the energy of minerals and water, minerals and oil, and water and oil, respectively, with units of kcal / mol. , , These represent the energy of minerals, water, and oil, respectively, with units of kcal / mol; The oil-water wettability of a mineral surface is determined based on the interaction energy between the mineral and water and the interaction energy between the mineral and crude oil components. This step includes: determining the oil-water wettability of a mineral surface based on the ratio of the interaction energy between the mineral and water to the interaction energy between the mineral and crude oil components.

2. The method according to claim 1, characterized in that, The optimization of the mineral model loaded with the water molecules and the crude oil components to obtain the optimized system model includes: Geometric optimization was performed on the mineral model loaded with the water molecules and the crude oil components; Annealing simulation was performed on the geometrically optimized mineral model to obtain the optimized system model.

3. The method according to claim 1, characterized in that, Molecular dynamics simulations were performed on the optimized system model to obtain a mineral model containing water molecules and crude oil components in the pores, including: The optimized system model is given a force field type and simulated temperature conditions are applied to perform molecular dynamics simulations to obtain a mineral model containing water molecules and crude oil components in the pores.

4. The method according to claim 1, characterized in that, The determination of the oil-water wettability of the mineral surface based on the ratio of the interaction energy between the mineral and water to the interaction energy between the mineral and crude oil components includes: A higher ratio indicates a more hydrophilic mineral surface; A smaller ratio indicates that the mineral surface is more oleophilic; When the ratio is close to 1, it indicates that the mineral surface is neutrally wetted; in, , These represent the interaction energy between the mineral and water, and the interaction energy between the mineral and crude oil components, respectively.

5. An apparatus for determining the surface wettability of a single mineral, characterized in that, The method described by any one of claims 1 to 4 includes: The model building module is used to build water molecule models, crude oil component models, and porous mineral models, respectively. A loading module is used to load water molecules composed of the water molecule model and crude oil components composed of the crude oil component model into the pores of the mineral model, respectively, wherein the water molecules and the crude oil components have the same volume; The optimization module is used to optimize the mineral model loaded with the water molecules and the crude oil components to obtain an optimized system model; The dynamics simulation module is used to perform molecular dynamics simulations on the optimized system model to obtain a mineral model containing water molecules and crude oil components in the pores; The interaction energy determination module is used to determine the interaction energy between the mineral and water and the interaction energy between the mineral and the crude oil component based on a mineral model containing water molecules and crude oil components in the pores. The oil-water wettability determination module is used to determine the oil-water wettability of the mineral surface based on the interaction energy between the mineral and water and the interaction energy between the mineral and crude oil components.

6. An electronic device, characterized in that, include: processor; Memory; And a computer program, wherein the computer program is stored in the memory, the computer program including instructions that, when executed by the processor, cause the electronic device to perform the method of any one of claims 1 to 4.

7. A computer-readable storage medium, characterized in that, The computer-readable storage medium includes a stored program, wherein, when the program is executed, it controls the device on which the computer-readable storage medium is located to perform the method according to any one of claims 1 to 4.

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