The concentration and velocity fields of two refractive index matched miscible shear-thinning fluids in a lid-driven cavity were investigated by using planar laser-induced fluorescence and particle image velocimetry,a...The concentration and velocity fields of two refractive index matched miscible shear-thinning fluids in a lid-driven cavity were investigated by using planar laser-induced fluorescence and particle image velocimetry,as well by computational fluid dynamics.Quantitative analyses show that the results obtained by flow simulations with the species transport model are in good agreement with the experimental results.The effects of different parameters were studied by using the intensity of segregation.For two fluids with the same rheological parameters,the relative amounts of liquids H_(1)/H and the power-law index n dominate the mixing process while the Reynolds number Re plays a marginal role.As for two fluids with density difference,buoyancy has significant influence on the mixing process.The dimensionless group Ar/Re(redefined such as to include shear thinning behavior)is proposed for assessing the effect of buoyancy and rheological properties on the mixing of miscible shear-thinning fluids.展开更多
In this paper a mixed finite element-characteristic mixed finite element method is discussed to simulate an incompressible miscible Darcy-Forchheimer problem.The flow equation is solved by a mixed finite element and t...In this paper a mixed finite element-characteristic mixed finite element method is discussed to simulate an incompressible miscible Darcy-Forchheimer problem.The flow equation is solved by a mixed finite element and the approximation accuracy of Darch-Forchheimer velocity is improved one order.The concentration equation is solved by the method of mixed finite element,where the convection is discretized along the characteristic direction and the diffusion is discretized by the zero-order mixed finite element method.The characteristics can confirm strong stability at sharp fronts and avoids numerical dispersion and nonphysical oscillation.In actual computations the characteristics adopts a large time step without any loss of accuracy.The scalar unknowns and its adjoint vector function are obtained simultaneously and the law of mass conservation holds in every element by the zero-order mixed finite element discretization of diffusion flux.In order to derive the optimal 3/2-order error estimate in L^(2) norm,a post-processing technique is included in the approximation to the scalar unknowns.Numerical experiments are illustrated finally to validate theoretical analysis and efficiency.This method can be used to solve such an important problem.展开更多
A modification of a finite element method of Douglas and Roberts for approximating the solution of the equations describing compressible miscible displacement in a porous medium is proposed and analyzed. The pressure ...A modification of a finite element method of Douglas and Roberts for approximating the solution of the equations describing compressible miscible displacement in a porous medium is proposed and analyzed. The pressure is treated by a parabolic mixed finite element method using a Raviart-Thomas space of index rover a quasiregular partition, An extension of the Darcy velocity along Gauss lines is used in the evaluation of the coefficients in the Galerkin procedure for the concentration. A simple computational procedure allows the superconvergence property of the fluid velocity to be retained in our total algorithm.展开更多
Physical modeling,numerical simulation and field case analysis were carried out to find out the subsurface thermal oxidation state,thermal oxidation front characteristics and production dynamic characteristics of high...Physical modeling,numerical simulation and field case analysis were carried out to find out the subsurface thermal oxidation state,thermal oxidation front characteristics and production dynamic characteristics of high pressure air injection thermal oxidation miscible flooding technology.The lighter the composition and the lower the viscosity of the crude oil,the lower the fuel consumption and the combustion temperature are.The thermal oxidation front of light oil and volatile oil can advance stably,and a medium-temperature thermal oxidation stable displacement state can be formed in the light oil reservoir under high pressure conditions.With strong thermal gasification and distillation,light oil and volatile oil are likely to form a single phase zone of gasification and distillation with thermal flue gas at the high-temperature and high-pressure heat front,finally,an air-injection thermal miscible front.In light oil reservoirs,the development process of high-pressure air-injection thermal miscible flooding can be divided into three stages:boosting pressure stage,low gas-oil ratio and high-efficiency stable production stage and high gas-oil ratio production stage.Approximately 70%of crude oil is produced during the boosting pressure stage and low gas-oil ratio high-efficiency and stable production stage.展开更多
An efficient time stepping procedure is proposed to treat the system describing compressible miscible displacement in a porous medium by employing a mixed finite element method to approximate the pressure and the flui...An efficient time stepping procedure is proposed to treat the system describing compressible miscible displacement in a porous medium by employing a mixed finite element method to approximate the pressure and the fluid velocity and a standard Galerkin method to approximate the concentration. An extension of the Darcy velocity along Gauss lines is used in the evaluation of the coefficients in the Galerkin procedure for the concentration. These results show that the total algorithm has the superconvergence property of the fluid velocity.展开更多
The miscible displacement of one incompressible fluid by another in a porous medium is considered in this paper. The concentration is split in a first-order hyberbolic equation and a homogeneous parabolic equation wit...The miscible displacement of one incompressible fluid by another in a porous medium is considered in this paper. The concentration is split in a first-order hyberbolic equation and a homogeneous parabolic equation within each lime step. The pressure and Us velocity field is computed by a mixed finite element method. Optimal order estimates are derived for the no diffusion case and the diffusion case.展开更多
The purpose of this study is to optimize the existing carbon dioxide (CO2) flood in deep dolomite formations by improving oil sweep efficiency of miscible CO2 floods and enhancing the conformance control. A full com...The purpose of this study is to optimize the existing carbon dioxide (CO2) flood in deep dolomite formations by improving oil sweep efficiency of miscible CO2 floods and enhancing the conformance control. A full compositional simulation model using a detailed geologic characterization was built to optimize the injection pattern. The model is a quarter of an inverted nine-spot and covers 20 acres of field formation. Geologic description was used to construct the simulation grids. The simulation layers represent actual flow units and resemble the large variation of reservoir properties. History match was performed to validate the model. Several sensitivity runs were made to improve the CO2 sweep efficiency and increase the oil recovery. Finally, the optimum CO2 injection rate for dolomite formations was determined approximately. Simulation results also indicate that a water-alternating-gas (WAG) ratio of 1:1 along with an ultimate CO2 slug of 100% hydrocarbon pore volume (HCPV) will allow an incremental oil recovery of 18%. The additional recovery increases to 34% if a polymer is injected as a conformance control agent during the course of the WAG process at a ratio of 1:1. According to the results, a pattern reconfiguration change from the nine spot to staggered line drive would represent an incremental oil recovery of 26%.展开更多
We consider a nonlinear parabolic system describing compressible miscibledisplacement in a porous medium [5]. Continuous time and discrete time Galerkinmethods are introduced to approximate the solution and optimal H^...We consider a nonlinear parabolic system describing compressible miscibledisplacement in a porous medium [5]. Continuous time and discrete time Galerkinmethods are introduced to approximate the solution and optimal H^1 error estimatesare obtained. One contribution of this paper is a demonstration of how moleculardispersion can be handled.展开更多
The characteristics and the formation of the miscible particles in V-Ti-N microalloyed steels were studied.It was found that the vanadium to form V-Ti miscible particles starts to precipi- tate after pouring and cooli...The characteristics and the formation of the miscible particles in V-Ti-N microalloyed steels were studied.It was found that the vanadium to form V-Ti miscible particles starts to precipi- tate after pouring and cooling to temperature below 11 50℃ by means of the epitaxial precipi- tation on the pre-existing titanium nitrides.The vanadium content in the particles is markedly influenced by the cooling rate after solidification.展开更多
In this article,a new characteristic finite difference method is developed for solving miscible displacement problem in porous media.The new method combines the characteristic technique with mass-preserving interpolat...In this article,a new characteristic finite difference method is developed for solving miscible displacement problem in porous media.The new method combines the characteristic technique with mass-preserving interpolation,not only keeps mass balance but also is of second-order accuracy both in time and space.Numerical results are presented to confirm the convergence and the accuracy in time and space.展开更多
The miscibility of flue gas and different types of light oils is investigated through slender-tube miscible displacement experiment at high temperature and high pressure.Under the conditions of high temperature and hi...The miscibility of flue gas and different types of light oils is investigated through slender-tube miscible displacement experiment at high temperature and high pressure.Under the conditions of high temperature and high pressure,the miscible displacement of flue gas and light oil is possible.At the same temperature,there is a linear relationship between oil displacement efficiency and pressure.At the same pressure,the oil displacement efficiency increases gently and then rapidly to more than 90% to achieve miscible displacement with the increase of temperature.The rapid increase of oil displacement efficiency is closely related to the process that the light components of oil transit in phase state due to distillation with the rise of temperature.Moreover,at the same pressure,the lighter the oil,the lower the minimum miscibility temperature between flue gas and oil,which allows easier miscibility and ultimately better performance of thermal miscible flooding by air injection.The miscibility between flue gas and light oil at high temperature and high pressure is more typically characterized by phase transition at high temperature in supercritical state,and it is different from the contact extraction miscibility of CO_(2) under conventional high pressure conditions.展开更多
The steady flow in a Hele-Shaw cell filled with fluids with a high viscosity contrast in the presence of fluid oscillations is experimentally studied.The control of oscillatory dynamics of multiphase systems with inte...The steady flow in a Hele-Shaw cell filled with fluids with a high viscosity contrast in the presence of fluid oscillations is experimentally studied.The control of oscillatory dynamics of multiphase systems with interfaces is a challenging technological problem.We consider miscible(water and glycerol)and immiscible(water and high-viscosity silicone oil PMS-1000)fluids under subsonic oscillations perpendicular to the interface.Observations show that the interface shape depends on the amplitude and frequency of oscillations.The interface is undisturbed only in the absence of oscillations.Under small amplitudes,the interface between water and glycerol widens due to mixing.When the critical amplitude is reached,the interface becomes unstable to the fingering instability:Aqueous fingers penetrate the high-viscosity glycerol and induce intensive mixing of miscible fluids and associated decay of the instability.After the disappearance of the fingers,the interface takes a U-shape in the central part of the cell.A similar effect is observed for immiscible fluids:The oscillating interface tends to bend to the side of a high-viscosity fluid.Again,when the critical amplitude is reached,the fingering instability arises at the convex interface.This paper focuses on the causes of bending of the initially undisturbed interface between miscible or immiscible fluids.For this purpose,we measure the steady flow velocity near the interface and in the bulk of a high-viscosity fluid using Particle Image Velocimetry(PIV).展开更多
The high throughput prediction of the thermodynamic phase behavior of active pharmaceutical ingredients(APIs)with pharmaceutically relevant excipients remains a major scientific challenge in the screening of pharmaceu...The high throughput prediction of the thermodynamic phase behavior of active pharmaceutical ingredients(APIs)with pharmaceutically relevant excipients remains a major scientific challenge in the screening of pharmaceutical formulations.In this work,a developed machine-learning model efficiently predicts the solubility of APIs in polymers by learning the phase equilibrium principle and using a few molecular descriptors.Under the few-shot learning framework,thermodynamic theory(perturbed-chain statistical associating fluid theory)was used for data augmentation,and computational chemistry was applied for molecular descriptors'screening.The results showed that the developed machine-learning model can predict the API-polymer phase diagram accurately,broaden the solubility data of APIs in polymers,and reproduce the relationship between API solubility and the interaction mechanisms between API and polymer successfully,which provided efficient guidance for the development of pharmaceutical formulations.展开更多
Numerical simulation of two-phase (oil and water) miscible flow in porousmedia is the mathematical foundation in energy problems. For a two-dimensional posi-tive problem, Douglas put forward the well-known characteris...Numerical simulation of two-phase (oil and water) miscible flow in porousmedia is the mathematical foundation in energy problems. For a two-dimensional posi-tive problem, Douglas put forward the well-known characteristic finite difference method.However, for numerical analysis there exist difficulties. They assumed that the problem isperiodic and the diffusion matrix of the concentration equation was positive definite. Butin many practical situations the diffusion matrixes are only positive semidefinite. In thispaper, we put forward a kind of characteristic finite difference schemes and obtain optimalorder estimates in l2 norm for the error in the approximation assumptions.展开更多
A kind of compressible miscible displacement problems which include molecular diffusion and dispersion in porous media are investigated.A symmetric interior penalty discontinuous Galerkin (SIPG) method is applied to t...A kind of compressible miscible displacement problems which include molecular diffusion and dispersion in porous media are investigated.A symmetric interior penalty discontinuous Galerkin (SIPG) method is applied to the coupled system of flow and transport.Using the induction hypotheses instead of the cut-off operator and the interpolation projection properties,a priori hp error estimates are presented.The error bounds in L2(H1) norm for concentration and in L∞(L2) norm for velocity are optimal in h and suboptimal in p with a loss of power 1/2.展开更多
Under the assumptions of nonlinear finite element and △t=o(h),Ewing and Wheeler discussed a Galerkin method for the single phase incompressible miscible displacement of one fluid by another in porous media.In the pre...Under the assumptions of nonlinear finite element and △t=o(h),Ewing and Wheeler discussed a Galerkin method for the single phase incompressible miscible displacement of one fluid by another in porous media.In the present paper we give a finite element scheme which weakens the △t=o(h)-restriction to △t=o(h~ε),0<ε≤1/2.Furthermore,this scheme is suitable for both linear element and nonlinear element.We also derive the optimal approximation estimates for concentration c,its gradient ▽c and the gradient ▽p of the pressure p.展开更多
A nonlinear parabolic system is derived to describe compressible miscible displacement in a porous medium.The concentration equation is treated by a mixed finite element method with characteristics(CMFEM)and the press...A nonlinear parabolic system is derived to describe compressible miscible displacement in a porous medium.The concentration equation is treated by a mixed finite element method with characteristics(CMFEM)and the pressure equation is treated by a parabolic mixed finite element method(PMFEM).Two-grid algorithm is considered to linearize nonlinear coupled system of two parabolic partial differential equations.Moreover,the L q error estimates are conducted for the pressure,Darcy velocity and concentration variables in the two-grid solutions.Both theoretical analysis and numerical experiments are presented to show that the two-grid algorithm is very effective.展开更多
A combined method consisting of the mixed finite element method for flow and the local discontinuous Galerkin method for transport is introduced for the one-dimensional coupled system of incompressible miscible displa...A combined method consisting of the mixed finite element method for flow and the local discontinuous Galerkin method for transport is introduced for the one-dimensional coupled system of incompressible miscible displacement problem. Optimal error estimates in L∞(0,T;L2) for concentration c,in L2(0,T;L2)for cxand L∞(0,T;L2) for velocity u are derived. The main technical difficulties in the analysis include the treatment of the inter-element jump terms which arise from the discontinuous nature of the numerical method,the nonlinearity,and the coupling of the models. Numerical experiments are performed to verify the theoretical results. Finally,we apply this method to the one-dimensional compressible miscible displacement problem and give the numerical experiments to confirm the efficiency of the scheme.展开更多
The incompressible miscible displacement problem in porous media is modeled by a coupled system of two nonlinear partial differential equations,the pressure–velocity equation and the concentration equation.In this pa...The incompressible miscible displacement problem in porous media is modeled by a coupled system of two nonlinear partial differential equations,the pressure–velocity equation and the concentration equation.In this paper,we present a mixed finite volume element method(FVEM)for the approximation of the pressure–velocity equation and a standard FVEM for the concentration equation.A priori error estimates in L^(∞)(L^(2))are derived for velocity,pressure and concentration.Numerical results are presented to substantiate the validity of the theoretical results.展开更多
Akind of compressiblemiscible displacement problemswhich includemolecular diffusion and dispersion in porous media are investigated.The mixed finite element method is applied to the flow equation,and the transport one...Akind of compressiblemiscible displacement problemswhich includemolecular diffusion and dispersion in porous media are investigated.The mixed finite element method is applied to the flow equation,and the transport one is solved by the symmetric interior penalty discontinuous Galerkin method.Based on a duality argument,employing projection estimates and approximation properties,a posteriori residual-type hp error estimates for the coupled system are presented,which is often used for guiding adaptivity.Comparing with the error analysis carried out by Yang(Int.J.Numer.Meth.Fluids,65(7)(2011),pp.781-797),the current work is more complicated and challenging.展开更多
基金The financial supports from the National Natural Science Foundation of China(22178014)。
文摘The concentration and velocity fields of two refractive index matched miscible shear-thinning fluids in a lid-driven cavity were investigated by using planar laser-induced fluorescence and particle image velocimetry,as well by computational fluid dynamics.Quantitative analyses show that the results obtained by flow simulations with the species transport model are in good agreement with the experimental results.The effects of different parameters were studied by using the intensity of segregation.For two fluids with the same rheological parameters,the relative amounts of liquids H_(1)/H and the power-law index n dominate the mixing process while the Reynolds number Re plays a marginal role.As for two fluids with density difference,buoyancy has significant influence on the mixing process.The dimensionless group Ar/Re(redefined such as to include shear thinning behavior)is proposed for assessing the effect of buoyancy and rheological properties on the mixing of miscible shear-thinning fluids.
基金supported by the Natural ScienceFoundation of Shandong Province(ZR2021MA019)。
文摘In this paper a mixed finite element-characteristic mixed finite element method is discussed to simulate an incompressible miscible Darcy-Forchheimer problem.The flow equation is solved by a mixed finite element and the approximation accuracy of Darch-Forchheimer velocity is improved one order.The concentration equation is solved by the method of mixed finite element,where the convection is discretized along the characteristic direction and the diffusion is discretized by the zero-order mixed finite element method.The characteristics can confirm strong stability at sharp fronts and avoids numerical dispersion and nonphysical oscillation.In actual computations the characteristics adopts a large time step without any loss of accuracy.The scalar unknowns and its adjoint vector function are obtained simultaneously and the law of mass conservation holds in every element by the zero-order mixed finite element discretization of diffusion flux.In order to derive the optimal 3/2-order error estimate in L^(2) norm,a post-processing technique is included in the approximation to the scalar unknowns.Numerical experiments are illustrated finally to validate theoretical analysis and efficiency.This method can be used to solve such an important problem.
基金Supported by China State Major Rey Project for Basic Researches
文摘A modification of a finite element method of Douglas and Roberts for approximating the solution of the equations describing compressible miscible displacement in a porous medium is proposed and analyzed. The pressure is treated by a parabolic mixed finite element method using a Raviart-Thomas space of index rover a quasiregular partition, An extension of the Darcy velocity along Gauss lines is used in the evaluation of the coefficients in the Galerkin procedure for the concentration. A simple computational procedure allows the superconvergence property of the fluid velocity to be retained in our total algorithm.
基金Supported by the Science and Technology Project of PetroChina Exploration and Production Company.
文摘Physical modeling,numerical simulation and field case analysis were carried out to find out the subsurface thermal oxidation state,thermal oxidation front characteristics and production dynamic characteristics of high pressure air injection thermal oxidation miscible flooding technology.The lighter the composition and the lower the viscosity of the crude oil,the lower the fuel consumption and the combustion temperature are.The thermal oxidation front of light oil and volatile oil can advance stably,and a medium-temperature thermal oxidation stable displacement state can be formed in the light oil reservoir under high pressure conditions.With strong thermal gasification and distillation,light oil and volatile oil are likely to form a single phase zone of gasification and distillation with thermal flue gas at the high-temperature and high-pressure heat front,finally,an air-injection thermal miscible front.In light oil reservoirs,the development process of high-pressure air-injection thermal miscible flooding can be divided into three stages:boosting pressure stage,low gas-oil ratio and high-efficiency stable production stage and high gas-oil ratio production stage.Approximately 70%of crude oil is produced during the boosting pressure stage and low gas-oil ratio high-efficiency and stable production stage.
文摘An efficient time stepping procedure is proposed to treat the system describing compressible miscible displacement in a porous medium by employing a mixed finite element method to approximate the pressure and the fluid velocity and a standard Galerkin method to approximate the concentration. An extension of the Darcy velocity along Gauss lines is used in the evaluation of the coefficients in the Galerkin procedure for the concentration. These results show that the total algorithm has the superconvergence property of the fluid velocity.
基金This work was supported by China State Major Key Project for Basic Researches.
文摘The miscible displacement of one incompressible fluid by another in a porous medium is considered in this paper. The concentration is split in a first-order hyberbolic equation and a homogeneous parabolic equation within each lime step. The pressure and Us velocity field is computed by a mixed finite element method. Optimal order estimates are derived for the no diffusion case and the diffusion case.
文摘The purpose of this study is to optimize the existing carbon dioxide (CO2) flood in deep dolomite formations by improving oil sweep efficiency of miscible CO2 floods and enhancing the conformance control. A full compositional simulation model using a detailed geologic characterization was built to optimize the injection pattern. The model is a quarter of an inverted nine-spot and covers 20 acres of field formation. Geologic description was used to construct the simulation grids. The simulation layers represent actual flow units and resemble the large variation of reservoir properties. History match was performed to validate the model. Several sensitivity runs were made to improve the CO2 sweep efficiency and increase the oil recovery. Finally, the optimum CO2 injection rate for dolomite formations was determined approximately. Simulation results also indicate that a water-alternating-gas (WAG) ratio of 1:1 along with an ultimate CO2 slug of 100% hydrocarbon pore volume (HCPV) will allow an incremental oil recovery of 18%. The additional recovery increases to 34% if a polymer is injected as a conformance control agent during the course of the WAG process at a ratio of 1:1. According to the results, a pattern reconfiguration change from the nine spot to staggered line drive would represent an incremental oil recovery of 26%.
基金The work is supported by Science Foundation of the Educational Committee of Shandong Province.
文摘We consider a nonlinear parabolic system describing compressible miscibledisplacement in a porous medium [5]. Continuous time and discrete time Galerkinmethods are introduced to approximate the solution and optimal H^1 error estimatesare obtained. One contribution of this paper is a demonstration of how moleculardispersion can be handled.
文摘The characteristics and the formation of the miscible particles in V-Ti-N microalloyed steels were studied.It was found that the vanadium to form V-Ti miscible particles starts to precipi- tate after pouring and cooling to temperature below 11 50℃ by means of the epitaxial precipi- tation on the pre-existing titanium nitrides.The vanadium content in the particles is markedly influenced by the cooling rate after solidification.
基金supported by the Fundamental Research Funds for the Central Universities(Grant No.22CX03020A).
文摘In this article,a new characteristic finite difference method is developed for solving miscible displacement problem in porous media.The new method combines the characteristic technique with mass-preserving interpolation,not only keeps mass balance but also is of second-order accuracy both in time and space.Numerical results are presented to confirm the convergence and the accuracy in time and space.
基金Supported by the PetroChina Science and Technology Project(2023ZG18).
文摘The miscibility of flue gas and different types of light oils is investigated through slender-tube miscible displacement experiment at high temperature and high pressure.Under the conditions of high temperature and high pressure,the miscible displacement of flue gas and light oil is possible.At the same temperature,there is a linear relationship between oil displacement efficiency and pressure.At the same pressure,the oil displacement efficiency increases gently and then rapidly to more than 90% to achieve miscible displacement with the increase of temperature.The rapid increase of oil displacement efficiency is closely related to the process that the light components of oil transit in phase state due to distillation with the rise of temperature.Moreover,at the same pressure,the lighter the oil,the lower the minimum miscibility temperature between flue gas and oil,which allows easier miscibility and ultimately better performance of thermal miscible flooding by air injection.The miscibility between flue gas and light oil at high temperature and high pressure is more typically characterized by phase transition at high temperature in supercritical state,and it is different from the contact extraction miscibility of CO_(2) under conventional high pressure conditions.
基金supported by the Ministry of Education of the Russian Federation(Project KPZU-2023-0002).
文摘The steady flow in a Hele-Shaw cell filled with fluids with a high viscosity contrast in the presence of fluid oscillations is experimentally studied.The control of oscillatory dynamics of multiphase systems with interfaces is a challenging technological problem.We consider miscible(water and glycerol)and immiscible(water and high-viscosity silicone oil PMS-1000)fluids under subsonic oscillations perpendicular to the interface.Observations show that the interface shape depends on the amplitude and frequency of oscillations.The interface is undisturbed only in the absence of oscillations.Under small amplitudes,the interface between water and glycerol widens due to mixing.When the critical amplitude is reached,the interface becomes unstable to the fingering instability:Aqueous fingers penetrate the high-viscosity glycerol and induce intensive mixing of miscible fluids and associated decay of the instability.After the disappearance of the fingers,the interface takes a U-shape in the central part of the cell.A similar effect is observed for immiscible fluids:The oscillating interface tends to bend to the side of a high-viscosity fluid.Again,when the critical amplitude is reached,the fingering instability arises at the convex interface.This paper focuses on the causes of bending of the initially undisturbed interface between miscible or immiscible fluids.For this purpose,we measure the steady flow velocity near the interface and in the bulk of a high-viscosity fluid using Particle Image Velocimetry(PIV).
基金the financial support from the National Natural Science Foundation of China(22278070,21978047,21776046)。
文摘The high throughput prediction of the thermodynamic phase behavior of active pharmaceutical ingredients(APIs)with pharmaceutically relevant excipients remains a major scientific challenge in the screening of pharmaceutical formulations.In this work,a developed machine-learning model efficiently predicts the solubility of APIs in polymers by learning the phase equilibrium principle and using a few molecular descriptors.Under the few-shot learning framework,thermodynamic theory(perturbed-chain statistical associating fluid theory)was used for data augmentation,and computational chemistry was applied for molecular descriptors'screening.The results showed that the developed machine-learning model can predict the API-polymer phase diagram accurately,broaden the solubility data of APIs in polymers,and reproduce the relationship between API solubility and the interaction mechanisms between API and polymer successfully,which provided efficient guidance for the development of pharmaceutical formulations.
文摘Numerical simulation of two-phase (oil and water) miscible flow in porousmedia is the mathematical foundation in energy problems. For a two-dimensional posi-tive problem, Douglas put forward the well-known characteristic finite difference method.However, for numerical analysis there exist difficulties. They assumed that the problem isperiodic and the diffusion matrix of the concentration equation was positive definite. Butin many practical situations the diffusion matrixes are only positive semidefinite. In thispaper, we put forward a kind of characteristic finite difference schemes and obtain optimalorder estimates in l2 norm for the error in the approximation assumptions.
基金supported by National Natural Science Foundation of China (Grant No.10971074)the Foundation for Talent Introduction of Guangdong Provincial University,Guangdong Province Universities and Colleges Pearl River Scholar Funded Scheme (2008)+2 种基金the National Basic Research Program (Grant No.2005CB321703)Hunan Provincial Natural Science Foundation of China (Grant No.10JJ3021)Aid Program for Science and Technology Innovative Research Team in Higher Educational Institutions of Hunan Province
文摘A kind of compressible miscible displacement problems which include molecular diffusion and dispersion in porous media are investigated.A symmetric interior penalty discontinuous Galerkin (SIPG) method is applied to the coupled system of flow and transport.Using the induction hypotheses instead of the cut-off operator and the interpolation projection properties,a priori hp error estimates are presented.The error bounds in L2(H1) norm for concentration and in L∞(L2) norm for velocity are optimal in h and suboptimal in p with a loss of power 1/2.
文摘Under the assumptions of nonlinear finite element and △t=o(h),Ewing and Wheeler discussed a Galerkin method for the single phase incompressible miscible displacement of one fluid by another in porous media.In the present paper we give a finite element scheme which weakens the △t=o(h)-restriction to △t=o(h~ε),0<ε≤1/2.Furthermore,this scheme is suitable for both linear element and nonlinear element.We also derive the optimal approximation estimates for concentration c,its gradient ▽c and the gradient ▽p of the pressure p.
基金Natural Science Foundation of Guangdong province,China(2018A0303100016)Educational Commission of Guangdong Province,China(2019KTSCX174)+1 种基金The second author's work is supported by the State Key Program of National Natural Science Foundation of China(11931003)National Natural Science Foundation of China(41974133,11671157).
文摘A nonlinear parabolic system is derived to describe compressible miscible displacement in a porous medium.The concentration equation is treated by a mixed finite element method with characteristics(CMFEM)and the pressure equation is treated by a parabolic mixed finite element method(PMFEM).Two-grid algorithm is considered to linearize nonlinear coupled system of two parabolic partial differential equations.Moreover,the L q error estimates are conducted for the pressure,Darcy velocity and concentration variables in the two-grid solutions.Both theoretical analysis and numerical experiments are presented to show that the two-grid algorithm is very effective.
基金supported by National Natural Science Foundation of China(Grant No.11101431)the Fundamental Research Funds for the Central Universities
文摘A combined method consisting of the mixed finite element method for flow and the local discontinuous Galerkin method for transport is introduced for the one-dimensional coupled system of incompressible miscible displacement problem. Optimal error estimates in L∞(0,T;L2) for concentration c,in L2(0,T;L2)for cxand L∞(0,T;L2) for velocity u are derived. The main technical difficulties in the analysis include the treatment of the inter-element jump terms which arise from the discontinuous nature of the numerical method,the nonlinearity,and the coupling of the models. Numerical experiments are performed to verify the theoretical results. Finally,we apply this method to the one-dimensional compressible miscible displacement problem and give the numerical experiments to confirm the efficiency of the scheme.
文摘The incompressible miscible displacement problem in porous media is modeled by a coupled system of two nonlinear partial differential equations,the pressure–velocity equation and the concentration equation.In this paper,we present a mixed finite volume element method(FVEM)for the approximation of the pressure–velocity equation and a standard FVEM for the concentration equation.A priori error estimates in L^(∞)(L^(2))are derived for velocity,pressure and concentration.Numerical results are presented to substantiate the validity of the theoretical results.
基金This work was supported by Hunan Provincial Natural Science Foundation of China,Scientific Research Fund ofHunan Provincial Education Department(Grant No.11B032),the Planned Science and Technology Project of Hunan Province(Grant No.2011FJ4146)Aid program for Science and Technology Innovative Research Team in Higher Educational Institutions of Hunan Province.The authors cordially thank the referees for their careful reading and helpful comments.
文摘Akind of compressiblemiscible displacement problemswhich includemolecular diffusion and dispersion in porous media are investigated.The mixed finite element method is applied to the flow equation,and the transport one is solved by the symmetric interior penalty discontinuous Galerkin method.Based on a duality argument,employing projection estimates and approximation properties,a posteriori residual-type hp error estimates for the coupled system are presented,which is often used for guiding adaptivity.Comparing with the error analysis carried out by Yang(Int.J.Numer.Meth.Fluids,65(7)(2011),pp.781-797),the current work is more complicated and challenging.