50 results about "Mole fraction" patented technology

The invention relates to the technical field of oxygen-enriched combustion safety and flammability limit prediction, and provides a flammability limit value prediction method and application, and the method comprises the steps: obtaining the initial parameters of a gas fuel in a mixed atmosphere of oxygen and carbon dioxide; simulating a combustion process by using an element reaction mechanism, and outputting a curve of component mole fractions changing along with time; the combustion enthalpy change rate under the target atmosphere and the virtual atmosphere is calculated based on the curve, and carbon dioxide in the virtual atmosphere is replaced with virtual gas which has the same thermophysical property but does not have chemical reactivity; respectively calculating combustion heat release, mixture heat absorption and heat radiation; and in combination with the enthalpy change rate and the energy balance equation, the combustible limit value is solved and determined through numerical iteration. By quantifying the chemical effect and thermophysical influence of carbon dioxide, the problem of insufficient precision caused by neglecting the participation of carbon dioxide in reaction and unique thermal property in the oxygen-enriched combustion environment in the existing model is solved, and the method is suitable for the safety design of a combustion system.

The invention relates to the technical field of crystal structure prediction, and discloses a quantum algorithm-based energetic CxNyOz crystal structure prediction method, which comprises the following steps of: calculating an evaporation and diffusion dimensionless number and capillary pressure by obtaining surface tension, a contact angle, a geometric feature scale, temperature, partial pressure, a diffusion coefficient and an evaporation rate; establishing a residual solvent mole fraction and solvent chemical potential sequence; constructing a binary layer occupancy model Hamiltonian containing layer occupancy energy, adjacent layer action energy, a capillary pressure volume term and a molecular polarity action term, and obtaining a hierarchical occupancy number by using a quantum approximation optimization algorithm; calculating interlayer respiration and shear frequency and mode volume sensitivity based on a quantum variation algorithm; and finally, the lattice spacing and the prediction result are obtained through cost functional minimization, and accurate prediction and quantitative analysis of the structure of the energetic crystal under the unbalanced desolvation condition are realized.

The present invention provides a solubility calculation method, a solubility calculation apparatus, and a computer-readable storage medium. The solubility calculation method comprises the following steps: setting initial molar fractions, initial temperatures, and initial pressures of a plurality of components in two phases, i.e., a gas phase and a liquid phase, substance parameters of the components, and binary interaction parameters among the components in an olefin polymerization system, the sum of the initial molar fractions of the components being 1 in both the gas phase and the liquid phase; calculating the fugacities of the components in the two phases, i.e., the gas phase and the liquid phase, and, on the basis of same, setting fugacity-related gas-liquid phase equilibrium conditions; and, in response to the molar fractions of the components satisfying the gas-liquid phase equilibrium conditions, and on the basis of the molar fraction of at least one liquid phase component, solving for the solubility thereof in the olefin polymerization system. The present invention can be used for solving the problem of gas-liquid phase equilibrium of a mixture of a plurality of components, so as to quickly and accurately converge to a phase equilibrium point.

The present application relates to the technical field of oxygen-enriched combustion safety and flammability limit prediction, and provides a flammability limit value prediction method and application, which comprises the following steps: obtaining initial parameters of a gas fuel in an oxygen and carbon dioxide mixed atmosphere; simulating a combustion process by using a base reaction mechanism, and outputting a curve of component mole fraction changing with time; calculating a combustion enthalpy change rate in the target atmosphere and a virtual atmosphere based on the curve, wherein the carbon dioxide in the virtual atmosphere is replaced by a virtual gas with the same thermal properties but without chemical reactivity; respectively calculating a combustion heat release, a mixture heat absorption and a heat radiation; and combining the enthalpy change rate and an energy balance equation to determine the flammability limit value by numerical iteration. The present application quantifies the chemical effect and thermal physical influence of carbon dioxide, solves the problem of insufficient accuracy of existing models in the oxygen-enriched combustion environment due to the neglect of the reaction of carbon dioxide and its unique thermal properties, and is suitable for combustion system safety design.

The invention discloses aluminosilicate green fluorescent powder with an abnormal thermal quenching effect, the chemical formula is Mg2-x-yMxAl4Si5O18: Tby, Tb < 3 + > is taken as a luminescence center, M is Ca < 2 + > or Sr < 2 + >, x / y is molar fraction, x is more than or equal to 0 and less than or equal to 0.5, and y is more than or equal to 0.045 and less than or equal to 0.135. The fluorescent powder emits green fluorescence with a peak value of 543 nm under the excitation of ultraviolet light. When the temperature rises, the luminescent property of the fluorescent powder shows an abnormal thermal quenching phenomenon, and when the temperature is 503K, the emission peak intensity at 543nm is 116% of that at 303K, and the fluorescent powder has excellent thermal stability.

This invention discloses a method, apparatus, equipment, and medium for predicting the dew point pressure of condensate gas. The method includes: inputting basic data of a condensate gas sample and initializing the dew point pressure value; using the 4CM splitting method to split and characterize the C7+ component in the condensate gas; estimating the gas-liquid phase equilibrium constant and the mole fraction of each component in the liquid phase based on the mole fraction of each component after splitting; calculating the gas-liquid phase compressibility factor using the improved equation of state (MPR) based on the gas-liquid phase equilibrium constant, the mole fraction of each component in the liquid phase, and the relevant data after characterization; determining whether the absolute value of the difference between the gas and liquid phase fugacity satisfies the equilibrium condition and whether the sum of the mole fractions of each component in the liquid phase satisfies the preset convergence condition; and finally outputting the calculated dew point pressure. This invention utilizes an integrated and innovative method for thermodynamic model construction, resulting in high accuracy and low calculation error in predicting the dew point pressure of condensate gas.

This invention discloses a method for predicting the solubility of elemental sulfur, comprising the following steps: obtaining parameter information of the target gas and calculating the target gas density ρ; selecting a prediction model based on the target gas temperature T, and determining the model parameters based on the H2S mole fraction and the target gas density ρ: when 373.15K≤T≤433.15K, the prediction model is c=ρ k exp(a / T+b); When 303.15K≤T<373.15K, the prediction model is: where c is the solubility of elemental sulfur in the target gas, k, a, and b are model parameters, model parameter k is a function of T, and the low-temperature correction coefficient d; Based on the selected prediction model and the determined model parameters, the solubility of elemental sulfur in the target gas is calculated. This invention also discloses an elemental sulfur solubility prediction system, electronic equipment, and storage medium. The elemental sulfur solubility prediction method of this invention is applicable to the temperature span in the development process of acidic gas reservoirs, introducing a low-temperature coefficient in the low-temperature range to ensure prediction accuracy throughout the entire temperature range.

The invention discloses an optical temperature measurement luminescent material, the chemical composition general formula of the luminescent material is Sc2-x-yMo3O12: xSm < 3 + >, yEu < 3 + >, x is more than or equal to 0.01 and less than or equal to 0.05, and y is more than or equal to 0.01 and less than or equal to 0.05. A preparation method of an optical temperature measurement luminescent material comprises the following steps: (1) taking an oxygen-containing compound containing elements of Sc, Sm, Mo and Eu as a raw material, weighing corresponding raw materials according to a molar ratio of each element in a chemical composition general formula Sc2-x-yMo3O12: xSm < 3 + > and yEu < 3 + >, x and y being doped molar fractions of Sm < 3 + > and Eu < 3 + >, 0.01 < = x < = 0.05, and 0.01 < = y < = 0.05; (2) fully grinding the weighed raw materials in a mortar, and uniformly mixing to obtain a solid mixture; (3) sintering the solid mixture in an air atmosphere; and (4) cooling the sintered product to room temperature along with the furnace, and grinding with a mortar to obtain Sm < 3 + > and Eu < 3 + > doped Sc2Mo3O12 powder.

The application belongs to the technical field of petroleum chemical industry, and discloses a construction method of an atmospheric distillation dynamic hybrid model based on a crude oil molecular model drive. In the calculation of a stable state, the distillation property parameters of the crude oil molecular model related to the molecular pure substance and the distillation process are calculated, and the distillation related property parameters of the mixture are calculated according to the mixing rule; the mechanism model is established for the whole primary distillation column, the top and bottom of the atmospheric distillation column according to the material balance equation, the phase balance equation, the mole fraction normalization equation and the heat balance equation; the agent model is established for the remaining main part of the atmospheric distillation column according to the agent model; and the atmospheric distillation process dynamic hybrid model with the structure of mechanism model-agent model-mechanism model is built in the order of the primary distillation column-atmospheric distillation column main part-atmospheric distillation column top and bottom. The model can simulate and calculate the specific molecular composition distribution of the product.

This invention provides a method for analyzing the impurity content of liquid carbon dioxide in a pressure storage tank, comprising: determining the gas phase mole fraction and thermodynamic parameters of each component in the pressure storage tank before taking out a specific volume of liquid carbon dioxide from the bottom of the tank; calculating the gas-liquid equilibrium constant, mole number, and mole fraction of each component in the pressure storage tank before taking out the liquid; calculating the liquid phase mole fraction of each component in the pressure storage tank before taking out the liquid; calculating the mole fraction of each component in the pressure storage tank after taking out the specific volume of liquid carbon dioxide; and determining the impurity content of the liquid carbon dioxide in the pressure storage tank after taking out the specific volume of liquid carbon dioxide. This invention enables dynamic analysis of the impurity content of liquid carbon dioxide in pressure storage tanks, solving the problems of high difficulty and low accuracy in measuring the composition of impurities in liquid carbon dioxide in pressure storage tanks, and providing a basis for subsequent research on carbon dioxide pipeline transportation technology.

A powder for manufacturing wherein the powder contains silicon carbide and boron carbide, wherein the powder includes particles having a particle size of more than or equal to 5 μm and containing silicon carbide, and particles having a particle size of less than or equal to 50 μm and containing boron carbide, and wherein a difference between a mole fraction of the silicon carbide and a mole fraction of the boron carbide in the powder is less than or equal to 60 mol % pt.

The application discloses SAPO-18-MeR molecular sieve and a preparation method and application thereof. The anhydrous chemical composition of the molecular sieve is mMe*nR(Si x Al y P z )O2; Me is at least one selected from Li + , Na + , K + and NH4 + ; R is at least one selected from N, N-diisopropyl ethylamine, tetraethyl ammonium hydroxide, triethylamine, diisopropylamine, diethylamine and ethylenediamine; m is the mole number of Me, m=0.05-0.2; n is the mole number of R, n=0.05-0.2; x is the mole fraction of Si, x=0.05-0.35; y is the mole fraction of Al, y=0.35-0.55; z is the mole fraction of P, z=0.25-0.45, and x+y+z=1. The molecular sieve has excellent silicon distribution and strong acid property, and has excellent catalytic performance as a denitration catalyst after loading Cu ions.

This invention discloses a thermochromic luminescent material, its preparation method, and its applications. The general chemical formula of the thermochromic luminescent material is RbCd. (1‑x) Mn x Cl3; x is the mole fraction, with a value ranging from 0 < x ≤ 15%. The thermochromic luminescent material provided by this invention exhibits significant thermochromic luminescence characteristics. At room temperature, RbCd... (1‑x) Mn x Cl3 belongs to the orthorhombic crystal system with space group Pnma. Under ultraviolet light irradiation, it exhibits red light emission. When RbCd... (1‑x) Mn x When Cl3 is heated to above 420K, its crystal structure changes to a tetragonal system with a space group of P4 / mbm, exhibiting yellow light emission. Furthermore, the fluorescence intensity of this thermochromic luminescent material increases with increasing temperature during the temperature variation process from 160K to 420K, demonstrating a significant resistance to thermal quenching. In addition, this invention provides a simple synthesis process with mild reaction conditions, abundant and inexpensive raw materials, solving the problems of lead toxicity and instability in lead-based halide crystals, and is expected to be widely used in intelligent responsive luminescence, anti-counterfeiting, and temperature measurement fields.

The invention discloses a soil organic carbon source and stability rapid evaluation method based on a solid 13C nuclear magnetic resonance spectrum and an intelligent analysis system, and the method comprises the following steps: carrying out standard pretreatment on a soil sample, and detecting the soil sample by using a solid 13C nuclear magnetic resonance technology to obtain spectrum data; partitioning the obtained spectrum data according to a standard chemical shift interval, and calculating an integral area proportion of a partition corresponding to each chemical functional group; based on the molecular mixing model, constructing a linear equation set, and solving the mole fractions of the six chemical components in the soil sample by adopting a constrained least square programming algorithm; and calculating the proportions of plant source carbon, microbial source carbon and pyrolytic carbon in the soil sample according to the calculated mole fractions of the six chemical components. The carbon proportion of a plant source and a microorganism source can be effectively distinguished by combining solid 13C nuclear magnetic resonance and a molecular mixed model, and the carbon stability change in the grassland degeneration and recovery process is revealed.

This invention discloses a method for calculating CO2 stockpiles in abandoned oil reservoirs based on multi-component phase equilibrium analysis, relating to the field of oil and gas field development technology. The invention first calculates the molar concentrations of non-CO2 native hydrocarbon components in the reservoir before and after CO2 injection. Then, it presets an initial value for the CO2 concentration in the reservoir mixture, determines the molar fraction of each component in the mixture under the initial state, and uses the Peng-Robinson equation of state to perform reservoir phase stability analysis under the final stockpiling pressure. This determines the molar fraction of each component in the mixture, obtains the distribution of CO2 and hydrocarbon components in the gas and liquid phases, calculates the true concentration of CO2 in the reservoir mixture, determines the solubility of CO2 in the aqueous phase, and obtains the total CO2 stockpiles in the reservoir. This invention fully considers the influence of porosity elasticity changes and complex component phase states on CO2 stockpiles in the reservoir, improving the accuracy of CO2 stockpil calculation results.

The present invention addresses the problem of providing a mixed gas and a method for regenerating an adsorbent with which it is possible to suppress the pulverization of an adsorbent while removing adsorbed components from the adsorbent. The means for solving the above problem is a mixed gas containing 0.1-3.0 vol% water vapor and 97 vol% or more of a gas A different from the water vapor, wherein the gas A has a Henry's constant with respect to water at 0°C of 2000 atm / mole fraction or less.

The invention provides a preparation method of composite ion pair modified potassium-sodium niobate ceramic, and relates to the technical field of functional ceramic. The chemical general formula of the composite ion pair modified potassium-sodium niobate ceramic is (K0. 5Na0. 5) 1-x (H-V) xNbO3, H-V is a composite ion pair, x is the mole fraction of the composite ion pair, and 0 lt; x is smaller than or equal to 0.05; the composite ion pair H-V is composed of a positive ion H and an equivalent A-site vacancy V, and is used for jointly replacing A-site (K0. 5Na0. 5) 1 + in the chemical general formula and keeping the electricity price balance of a crystal structure. The potassium-sodium niobate ceramic material disclosed by the invention has excellent piezoelectric property, and the maximum piezoelectric coefficient is about 560 pC / N. The performance index is far superior to the electrical performance of pure potassium sodium niobate ceramic, and is also superior to numerous commercial lead-containing PZT piezoelectric ceramics.

The application discloses an electrolyte initial crystallization temperature prediction method, a medium and an electronic device, wherein the method comprises: obtaining to-be-tested electrolyte data, the to-be-tested electrolyte data comprising to-be-tested electrolyte components and mass percentage contents of the to-be-tested electrolyte components; obtaining molar fractions of elements based on the law of conservation of mass, the stoichiometry principle and the elements corresponding to the to-be-tested electrolyte components in the to-be-tested electrolyte data; obtaining point features of each element based on first attributes of the elements, and obtaining edge features between each two elements based on second attributes of the elements and the molar fractions; the first attributes are used for representing inherent physical and chemical attributes of the elements, and the second attributes are used for at least representing interaction strengths determined based on concentration coupling relationships between the elements; and the point features and the edge features are input into a pre-trained neural network prediction model to obtain a predicted electrolyte initial crystallization temperature; and the application improves the prediction accuracy and generalization ability of the initial crystallization temperature.

An ethylene oxide (EO) production process comprising (a) introducing a first reactant mixture (C2H6, C2H4, O2) to a first reactor system to produce a first effluent stream (C2H4, C2H6, O2), wherein the mole fraction of ethylene in first effluent stream is greater than in first reactant mixture; wherein the first reactor system is characterized by a first reactor system operating temperature of 270° C.-320° C.; wherein the first reactor system comprises oxidative dehydrogenation (ODH) stage(s); (b) introducing the first effluent stream to a second reactor to produce a second effluent stream (EO, C2H4, C2H6, O2); (c) separating the second effluent stream into an EO product stream (EO) and recycle stream (C2H4, C2H6, O2); wherein ethylene is not separated from recycle stream and / or first effluent stream; (d) recycling at least a portion of recycle stream to the first reactor system, and a optionally portion of recycle stream to the second reactor.

Embodiments simulate liquid mixtures. An embodiment begins by receiving a free energy curve of a liquid mixture comprising two components. Based on the received free energy curve, a partition function describing fluctuations of mole fractions of the two components in the liquid mixture is constructed. In turn, a renormalized free energy curve of the liquid mixture is calculated using the constructed partition function. The behavior of the liquid mixture is then simulated using, i.e., applying, the calculated renormalized free energy curve. Computer automated simulation systems and apparatus are example applications of the inventive method and disclosed techniques.

To provide a recycling method for separating and recovering a material part (a1) from a treating object (a) which is a composite material composed of at least one or more chemical parts (a2) and at least one or more material parts (a2).SOLUTION: By adjusting the molar ratio X / Y to 0.002 or more and the molar ratio Z / Y to 0.3 or more and 30 or less in the treatment liquid containing the catalyst (b), the nucleophilic agent (c), and the solvent (d) (where X+Y+Z=100 when the respective molar fractions are Xmol%, Ymol%, and Zmol%), the urethane bond contained in the treatment target (a) can be decomposed at a temperature lower than that in the related art, particularly at a temperature of lower than 100°C, and the material part (a2) remaining without being decomposed can be separated and recovered.SELECTED DRAWING: Figure 1

The application provides a mixed working medium evaporation enthalpy prediction method and a parameter calibration method of a prediction model, and relates to the technical field of thermodynamic property calculation. The prediction method comprises the following steps: obtaining the saturated gas phase temperature of a mixed working medium to be measured, and the molar fraction of each pure component contained in the mixed working medium to be measured; obtaining the characteristic thermodynamic state point parameters of each pure component contained in the mixed working medium to be measured, and a model coefficient determined in advance; determining the evaporation enthalpy of the mixed working medium to be measured by using an evaporation enthalpy prediction model based on the saturated gas phase temperature, the molar fraction, the characteristic thermodynamic state point parameters and the model coefficient; wherein the evaporation enthalpy prediction model characterizes the evaporation enthalpy of the mixed working medium as a power function of a comparison temperature term, and the exponential term of the power function is a function term containing the molar fraction explicitly; the comparison temperature term is the ratio of the saturated gas phase temperature to a reference temperature, and the reference temperature is determined by weighting the characteristic thermodynamic state point temperatures of each pure component based on the molar fraction.

The invention relates to a method for predicting the solubility of sulfur in sulfur-containing natural gas, and belongs to the technical field of gas field exploitation. The method for predicting the solubility of sulfur in sulfur-containing natural gas comprises the following steps: preparing sulfur-containing natural gas standard samples containing different CO2 mole fractions based on the mole fraction range of CO2 in sulfur-containing natural gas in a research area; on the basis of the corresponding relation between the sulfur solubility of the standard sample under the gas reservoir condition and the CO2 mole fraction in the standard sample and the corresponding relation between the density of the standard sample under the gas reservoir condition and the CO2 mole fraction in the standard sample, a sulfur solubility prediction model of the sulfur-containing natural gas in the research area is constructed. According to the method for predicting the solubility of sulfur in sulfur-containing natural gas, the influence of the CO2 mole fraction on the solubility of elemental sulfur can be reflected, and the prediction accuracy of a sulfur solubility prediction model on the solubility of sulfur in sulfur-containing natural gas containing CO2 is improved.

This invention discloses a calculation method for a high-alloy steel model, relating to the field of iron and steel metallurgy technology. The method includes the following steps: S1, using the original chemical composition in the model: using the basic parameters of the FSU model, including quantitative coefficients and temperature correction coefficients, and introducing classification parameters; S2, initializing the mole fraction calculation of the CTC model; S3, in actual production, simultaneously applying strategies one and two, dynamically adjusting the model calculation parameters according to the chemical composition content and grade thickness range. This calculation method for the high-alloy steel model, by combining existing model composition correction logic, eliminating primary elements and using secondary elements for calculation, and automatically splitting grades according to thickness range and appropriately processing the C element in thin grades, significantly improves the stability and accuracy of model calculations, reducing production interruptions and product quality problems caused by calculation deviations.

The application provides a lead-free piezoelectric ceramic material, a preparation method thereof and a piezoelectric device. The lead-free piezoelectric ceramic material is expressed by a chemical general formula as follows: (1-x-y)(K 1‑a Na a )(Nb 1‑b M b )O3-xAWO4-yBMoO4; wherein (K 1‑a Na a )(Nb 1‑b M b )O3 represents a potassium sodium niobate-based ceramic material, 0.4<=a<=0.6, 0<=b<=0.1, M is a doped metal element; x and y are molar fractions, and satisfy: 0

The invention provides an oxyhydrogen premixed flame temperature high-precision measurement method based on lateral shear interference, which mainly comprises the following steps of: firstly, simulating by utilizing computational fluid dynamics to obtain the molar fraction and temperature of oxyhydrogen premixed combustion components, substituting the molar fraction and temperature into a Lorentz-Lorenz equation to calculate the refractive index, and performing Fourier series expansion to obtain the refractive index of the oxyhydrogen premixed combustion components; establishing mapping from temperature to water mole fraction; utilizing random forest regression training to obtain mapping from the refractive index and the component mole fraction to the flame temperature, and establishing a flame temperature model; then, the refractive index of each point of the oxyhydrogen flame is obtained through a shear interference imaging system, the initial temperature value of the corresponding point is obtained through a Gladstone-Dale model, and the water mole fraction is obtained through calculation; and finally, substituting the water mole fraction and the refractive index into the flame temperature model to obtain the temperature value of each point of the flame to be measured. The advantages of high dynamic and high resolution of transverse shearing interference flame imaging are fully utilized, the temperature measurement precision is further improved, and the method has wide application prospects in the aspect of combustion diagnosis.

The present invention provides a method for determining the content of target components in a gas mixture using Raman spectroscopy, which includes performing Raman spectroscopic detection of the gas mixture to obtain a Raman spectrum; selecting one characteristic peak from the Raman spectrum as a reference peak, with a component corresponding thereto serving as a reference component, and normalizing the characteristic peaks in the Raman spectrum relative to the reference peak to obtain relative Raman peak heights of the various characteristic peaks; determining the peak positions of the characteristic peaks of the various target components in the Raman spectrum of the gas mixture by combining them with the Raman spectra of the pure target components;determining molar ratios or volume ratios of target components to reference components in the gas mixture based on relative Raman peak heights of the target components and one or more regression coefficients obtained from a set of training samples of the gas mixture; and determining molar fractions or volume fractions of various target components in the gas mixture based on molar ratios or volume ratios of the target components to the reference components.;

The application discloses a boron-silicon molecular sieve and a rapid preparation method thereof, and belongs to the field of molecular sieve synthesis. The boron-silicon molecular sieve has an anhydrous chemical composition as shown in formula I: kM·mR·(Si x B y )O2 formula I wherein M represents an inorganic cation, R represents a template agent; k represents the number of moles of the inorganic cation M corresponding to each mole of (Si x B y )O2, k=0.01-0.06; m represents the number of moles of the template agent R corresponding to each mole of (Si x B y )O2, m=0.01-0.10; x and y respectively represent the mole fractions of Si and B corresponding to (Si x B y )O2. The preparation method has a simple synthesis process, effectively simplifies the steps for synthesizing the boron-silicon molecular sieve, and shortens the crystallization time to 1-4 days.

The application relates to a special glass material, in particular to a low-transmittance high-strength glass and a preparation method and application thereof. The low-transmittance high-strength glass comprises the following elements in terms of mole fraction: Si 16-22 parts, B 2.5-5.5 parts, Al 0.5-1 part, Ge 0.1-5 parts, Na 0-1 part, K 2-4 parts, Ca 1-2 parts, Ti 3-4 parts, Fe 2.5-4 parts, Co 1.5-3.5 parts, Ni 0.5-1 part, Mn 0.2-0.5 part, Cu 0.8-1.2 part, Sb 0.2-0.5 part and necessary oxygen elements; wherein the sum of the mole fractions of Si, B and Ge is greater than or equal to 22.5 parts, and the sum of the mole fractions of Fe and Ni is greater than or equal to 3.5 parts. The low-transmittance high-strength glass provided by the application has excellent visible light absorption performance and mechanical performance, and good thermal performance and chemical stability.

The application provides a carbon dioxide drive asphaltene deposition numerical simulation method, device and storage medium. The method comprises the following steps: obtaining basic physical property data of a target asphalt sample, and dividing the target asphalt sample into a first pseudo-component that is soluble in low molecular saturated hydrocarbon and a second pseudo-component that is insoluble in low molecular saturated hydrocarbon; determining the physical property parameters of the first pseudo-component through an experiment, and inversely calculating the physical property parameters of the second pseudo-component by using a mixing law in combination with the basic physical properties of the sample; obtaining asphaltene deposition experimental data of the sample under different temperatures, pressures and CO2 concentrations, calculating the molar fraction of the second pseudo-component in a fluid phase after deposition, and determining a solid-liquid equilibrium K value as the ratio of the molar fraction of the second pseudo-component to the molar fraction of 1 in a solid phase; introducing the K value into a reservoir numerical simulator, establishing a multi-phase and multi-component model based on mass conservation and multi-phase percolation equations, coupling a porosity and permeability dynamic change model, and predicting asphaltene deposition behavior in a CO2 drive process and the influence of the asphaltene deposition behavior on reservoir physical properties.