In this paper,we mainly focus on the following Choquard equation-{△u-V(x)(I_(a*)|u|^(p))|u|^(p-2)u=λu,x∈R^(N),u∈H^(1)(R^(N))where N≥1,λ∈R will arise as a Lagrange multiplier,0<a<N and N+a/N<p<N+a+2/...In this paper,we mainly focus on the following Choquard equation-{△u-V(x)(I_(a*)|u|^(p))|u|^(p-2)u=λu,x∈R^(N),u∈H^(1)(R^(N))where N≥1,λ∈R will arise as a Lagrange multiplier,0<a<N and N+a/N<p<N+a+2/N Under appropriate hypotheses on V(x),we prove that the above Choquard equation has a normalized ground state solution by utilizing variational methods.展开更多
By introducing a fictitious mode to be a counterpart mode of the system mode under review we introduce the entangled state representation (η|, which can arrange master equations of density operators p(t) in quant...By introducing a fictitious mode to be a counterpart mode of the system mode under review we introduce the entangled state representation (η|, which can arrange master equations of density operators p(t) in quantum statistics as state-vector evolution equations due to the elegant properties of (η|. In this way many master equations (respectively describing damping oscillator, laser, phase sensitive, and phase diffusion processes with different initial density operators) can be concisely solved. Specially, for a damping process characteristic of the decay constant k we find that the matrix element of p(t) at time t in 〈η| representation is proportional to that of the initial po in the decayed entangled state (ηe^-kt| representation, accompanying with a Gaussian damping factor. Thus we have a new insight about the nature of the dissipative process. We also set up the so-called thermo-entangled state representation of density operators, ρ = f(d^2η/π)(η|ρ〉D(η), which is different from all the previous known representations.展开更多
Encouraged by the wide spectrum of novel applications of gas hydrates,e.g.,energy recovery,gas separation,gas storage,gas transportation,water desalination,and hydrogen hydrate as a green energy resource,as well as CO...Encouraged by the wide spectrum of novel applications of gas hydrates,e.g.,energy recovery,gas separation,gas storage,gas transportation,water desalination,and hydrogen hydrate as a green energy resource,as well as CO2 capturing,many scientists have focused their attention on investigating this important phenomenon.Of course,from an engineering viewpoint,the mathematical modeling of gas hydrates is of paramount importance,as anticipation of gas hydrate stability conditions is effective in the design and control of industrial processes.Overall,the thermodynamic modeling of gas hydrate can be tackled as an equilibration of three phases,i.e.,liquid,gas,and solid hydrate.The inseparable component in all hydrate systems,water,is highly polar and non-ideal,necessitating the use of more advanced equation of states(EoSs) that take into account more intermolecular forces for thermodynamic modeling of these systems.Motivated by the ever-increasing number of publications on this topic,this study aims to review the application of associating EoSs for the thermodynamic modeling of gas hydrates.Three most important hydrate-based models available in the literature including the van der Waals-Platteeuw(vdW-P) model,Chen-Guo model,and Klauda-Sandler model coupled with and SAFT EoSs were investigated and compared with cubic EoSs.It was concluded that the CPA and SAFT EoSs gave very accurate results for hydrate systems as they take into account the association interactions,which are very crucial in gas hydrate systems in which water,methanol,glycols,and other types of associating compounds are available.Moreover,it was concluded that the CPA EoS is easier to use than the SAFT-type EoSs and our suggestion for the gas hydrate systems is the CPA EoS.展开更多
Adopting the classical theory of hydrocodes,the constitutive relations of concretes are separated into an equation of state(EoS)which describes the volumetric behavior of concrete material and a strength model which d...Adopting the classical theory of hydrocodes,the constitutive relations of concretes are separated into an equation of state(EoS)which describes the volumetric behavior of concrete material and a strength model which depicts the shear properties of concrete.The experiments on the EoS of concrete is always challenging due to the technical difficulties and equipment limitations,especially for the specimen size effect on the EoS.Although some researchers investigate the shock properties of concretes by fly-plate impact tests,the specimens used in their tests are usually in one size.In this paper,the fly-plate impact tests on concrete specimens with different sizes are performed to investigate the size effect on the shock properties of concrete materials.The mechanical background of the size effect on the shock properties are revealed,which is related to the lateral rarefaction effect and the deviatoric stress produced in the specimen.According to the tests results,the modified EoS considering the size effect on the shock properties of concrete are proposed,which the bulk modulus of concrete is unpredicted by up to 20% if size effects are not accounted for.展开更多
Based on the statistical theory for chemical association,equations of state for hard-spherechain fluids(HSCFs)and square-well chain fluids(SWCFs)can be derived through the n-particlecavity correlation function(CCF)of ...Based on the statistical theory for chemical association,equations of state for hard-spherechain fluids(HSCFs)and square-well chain fluids(SWCFs)can be derived through the n-particlecavity correlation function(CCF)of the corresponding reference system,where n is the chain lengthor the number of segments of a chain molecule.The reference system is a fluid composed of only cor-responding monomers.In this work,the n-particle CCF is approximated by a product of effectivetwo-particle CCFs which accounts for correlations in nearest-neighbour and next-to-nearest-neighboursegment pairs.The CCFs for SWCFs may be expressed by a product of the corresponding functionfor HSCFs and a perturbation term originated from the square-well attractive potential.All these ef-fective two-particle CCFs and perturbation terms are density dependent.The dependence is determinedmainly by using computer-simulation results.The obtained equations can excellently describecompressibility factors and second Virial coefficients for展开更多
Cubic equations of state (EOS) have been combined with the absolute rate theory of Eyring to calculate viscosities of liquid mixtures. A modified Huron-Vidal gE-mixing rule is employed in the calculation and in compar...Cubic equations of state (EOS) have been combined with the absolute rate theory of Eyring to calculate viscosities of liquid mixtures. A modified Huron-Vidal gE-mixing rule is employed in the calculation and in comparison with the van Laar and the Redlich-Kister-type mixing rule. The EOS method gives an accurate correlation of liquid viscosities with an overall average deviation less than 1% for 67 binary systems including aqueous solutions. It is also successful in extrapolating viscosity data over a certain temperature range using parameters obtained from the isotherm at a given temperature and in predicting viscosities of ternary solutions from binary parameters for either polar or associated systems.展开更多
Systems biology requires the development of algorithms that use omics data to infer interaction networks among biomolecules working within an organism. One major type of evolutionary algorithm, genetic programming (GP...Systems biology requires the development of algorithms that use omics data to infer interaction networks among biomolecules working within an organism. One major type of evolutionary algorithm, genetic programming (GP), is useful for its high heuristic ability as a search method for obtaining suitable solutions expressed as tree structures. However, because GP determines the values of parameters such as coefficients by random values, it is difficult to apply in the inference of state equations that describe oscillatory biochemical reaction systems with high nonlinearity. Accordingly, in this study, we propose a new GP procedure called “k-step GP” intended for inferring the state equations of oscillatory biochemical reaction systems. The k-step GP procedure consists of two algorithms: 1) Parameter optimization using the modified Powell method—after genetic operations such as crossover and mutation, the values of parameters such as coefficients are optimized by applying the modified Powell method with secondary convergence. 2) GP using divided learning data—to improve the inference efficiency, imposes perturbations through the addition of learning data at various intervals and adaptations to these changes result in state equations with higher fitness. We are confident that k-step GP is an algorithm that is particularly well suited to inferring state equations for oscillatory biochemical reaction systems and contributes to solving inverse problems in systems biology.展开更多
In this paper,we consider the nonlinear Kirchhoff type equation with a steep potential well−(a+b∫_(R)^(3)|∇u|^(2 )dx)Δu+λV(x)u=f(u)in R^(3),where a,b>0 are constants,λ is a positive parameter,V∈C(R3,R)is a ste...In this paper,we consider the nonlinear Kirchhoff type equation with a steep potential well−(a+b∫_(R)^(3)|∇u|^(2 )dx)Δu+λV(x)u=f(u)in R^(3),where a,b>0 are constants,λ is a positive parameter,V∈C(R3,R)is a steep potential well and the nonlinearity f∈C(R,R)satisfies certain assumptions.By applying a signchanging Nehari manifold combined with the method of constructing a sign-changing(PS)C sequence,we obtain the existence of ground state sign-changing solutions with precisely two nodal domains when λ is large enough,and find that its energy is strictly larger than twice that of the ground state solutions.In addition,we also prove the concentration of ground state sign-changing solutions.展开更多
Cubic equations of state EOS have been combined with the absolute rate theory of Eyring to calculate viscosities of liquid mixtures. A modified Huron-Vidal gE-mixing rule is employed in the calculation and in com- par...Cubic equations of state EOS have been combined with the absolute rate theory of Eyring to calculate viscosities of liquid mixtures. A modified Huron-Vidal gE-mixing rule is employed in the calculation and in com- parison with the van Laar and the Redlich-Kister-type mixing rule. The EOS method gives an accurate correlation of liquid viscosities with an overall average deviation less than 1% for 67 binary systems including aqueous solu- tions. It is also successful in extrapolating viscosity data over a certain temperature range using parameters obtained from the isotherm at a given temperature and in predicting viscosities of ternary solutions from binary parameters for either polar or associated systems.展开更多
Here we review a new class of mixing rules (hat have extended range of mixtures and conditions that can now be described by equation of state models. One characteristic of these mixing rules is that they simultaneousl...Here we review a new class of mixing rules (hat have extended range of mixtures and conditions that can now be described by equation of state models. One characteristic of these mixing rules is that they simultaneously satisfy the boundary conditions of producing a second virial coefficient that is quadratic in mole fraction, and a free energy of mixing like that of an activity coefficient model at high density, though the mixing rule is itself independent of density. We show that using this mixing rule, various asymmetric, highly nonideal mixtures can be accurately described. One serendipitous result is that the parameters in this mixing rule model are almost independent of temperature, which allows accurate extrapolations of phase behavior to be made over large ranges of temperature and pressure.展开更多
In the present work, effect of the attraction terms of four recently modified Peng-Robinson (MPR) equations of state on the prediction of solubility of caffeine, cholesterol, uracil and erythromycin was studied. The...In the present work, effect of the attraction terms of four recently modified Peng-Robinson (MPR) equations of state on the prediction of solubility of caffeine, cholesterol, uracil and erythromycin was studied. The attraction terms of two of these equations are linear relative to the acentric factor and for the other two are exponential. It is found that the later show less deviation. Also interaction parameters for the studied systems are obtained and the percentage of average absolute relative deviation (%AARD) in each calculation is displayed.展开更多
Progress in hydrate thermodynamic study necessitates robust and fast models to be incorporated in reservoir simulation softwares. However, numerous models presented in the literature makes selection of the best,proper...Progress in hydrate thermodynamic study necessitates robust and fast models to be incorporated in reservoir simulation softwares. However, numerous models presented in the literature makes selection of the best,proper predictive model a cumbersome task. It is of industrial interest to make use of cubic equations of state(EOS) for modeling hydrate equilibria. In this regard, this study focuses on evaluation of three common EOSs including Peng–Robinson, Soave–Redlich–Kwong and Valderrama–Patel–Teja coupled with van der Waals and Platteeuw theory to predict hydrate P–T equilibrium of a real natural gas sample. Each EOS was accompanied with three mixing rules, including van der Waals(vd W),Avlonitis non-density dependent(ANDD) and general nonquadratic(GNQ). The prediction of cubic EOSs was in sufficient agreement with experimental data and with overall AARD% of less than unity. In addition, PR plus ANDD proved to be the most accurate model in this study for prediction of hydrate equilibria with AARD% of 0.166.It was observed that the accuracy of cubic EOSs studied in this paper depends on mixing rule coupled with them,especially at high-pressure conditions. Lastly, the present study does not include any adjustable parameter to be correlated with hydrate phase equilibrium data.展开更多
In this article, linear regular index 2 DAEs A(t)[D(t)x(t)]' + B(t)x(t) = q(t) are considered. Using a decoupling technique, initial condition and boundary condition are properly formulated. Regular inde...In this article, linear regular index 2 DAEs A(t)[D(t)x(t)]' + B(t)x(t) = q(t) are considered. Using a decoupling technique, initial condition and boundary condition are properly formulated. Regular index 1 DAEs are obtained by a regularization method. We study the behavior of the solution of the regularization system via asymptotic expansions. The error analysis between the solutions of the DAEs and its regularization system is given.展开更多
By virtue of the well-behaved properties of the bipartite entangled states representation, this paper analyse and solves some master equations for generalized phase diffusion models, which seems concise and effective....By virtue of the well-behaved properties of the bipartite entangled states representation, this paper analyse and solves some master equations for generalized phase diffusion models, which seems concise and effective. This method can also be applied to solve other master equations.展开更多
In this paper, the LCVM mixing rule is extended to the multi-parameter equations of state by combining infi- nite-pressure and zero-pressure mixing rule models. The new LCVM-type mixing rule, coupled with Patel-Teja e...In this paper, the LCVM mixing rule is extended to the multi-parameter equations of state by combining infi- nite-pressure and zero-pressure mixing rule models. The new LCVM-type mixing rule, coupled with Patel-Teja equation of state (EOS) is applied for vapor-liquid equilibria of different polar and non-polar systems in which the NRTL activity coefficient model is used to calculate the excess Gibbs free energy. The tested results agree well with existing experimental data within a wide range of temperatures and pressures. In comparison with the Van der Waals mixing rule, the new mixing rule gives much better corre- lations for the vapor-liquid equilibria of non-polar and polar systems.展开更多
The relationship between the technique by state- dependent Riccati equations (SDRE) and Hamilton-Jacobi-lsaacs (HJI) equations for nonlinear H∞ control design is investigated. By establishing the Lyapunov matrix ...The relationship between the technique by state- dependent Riccati equations (SDRE) and Hamilton-Jacobi-lsaacs (HJI) equations for nonlinear H∞ control design is investigated. By establishing the Lyapunov matrix equations for partial derivates of the solution of the SDREs and introducing symmetry measure for some related matrices, a method is proposed for examining whether the SDRE method admits a global optimal control equiva- lent to that solved by the HJI equation method. Two examples with simulation are given to illustrate the method is effective.展开更多
The importance of equations of state (EOS) has brought about the proliferation of hundreds of EOS. Nearly all prevailing cubic EOS could be regarded as the results of reforming the original vdW EOS. However, the accur...The importance of equations of state (EOS) has brought about the proliferation of hundreds of EOS. Nearly all prevailing cubic EOS could be regarded as the results of reforming the original vdW EOS. However, the accuracy of the vdW EOS is so low. In view of this, a new general equation is proposed that could be used to value or compare vdW type of EOS, and consequently develop a better vdW type of EOS.展开更多
We consider the Cauchy problem, free boundary problem and piston problem for one-dimensional compressible Navier-Stokes equations with density-dependent viscosity. Using the reduction to absurdity method, we prove tha...We consider the Cauchy problem, free boundary problem and piston problem for one-dimensional compressible Navier-Stokes equations with density-dependent viscosity. Using the reduction to absurdity method, we prove that the weak solutions to these systems do not exhibit vacuum states, provided that no vacuum states are present initially. The essential re- quirements on the solutions are that the mass and energy of the fluid are locally integrable at each time, and the Lloc1-norm of the velocity gradient is locally integrable in time.展开更多
The equation of state of MgSiO3 perovskite under high pressure and high temperature is simulated using the molecular dynamics method. It was found that the molecular dynamics simulation is very successful in accuratel...The equation of state of MgSiO3 perovskite under high pressure and high temperature is simulated using the molecular dynamics method. It was found that the molecular dynamics simulation is very successful in accurately reproducing the measured molar volumes of MgSiO3 perovskite over a wide range of temperatures and pressures. The simulated equation of state of MgSiO3 perovskite matched experimental data at up to 140GPa at 300K, as well as the fitting data of others and results from the first-principles simulation based on the local density approximation. The simulated equations of state of MgSiO3 perovskite at higher temperatures and higher pressures also correspond to the other calculations. In addition, the volume compression data of MgSiO3 perovskite is simulated up to 120 GPa at 300, 900, 2000 and 3000 K, respectively.展开更多
A new approach to the investigation of vdW type of equations of state (EOS) is developed by embedding a vapor pressure equation and a saturated liquid volume equation into vdW type EOS, which results in a new function...A new approach to the investigation of vdW type of equations of state (EOS) is developed by embedding a vapor pressure equation and a saturated liquid volume equation into vdW type EOS, which results in a new function AS(T). The AS(T) possesses the properties of an attractive parameter A(T), and if an EOS is accurate in the whole PVT space, then its numerical value equals A(T). As a useful tool for investigating EOS, the As(T) has been used to make comparisons among RKS, PRSVII, PT and ALS EOS, and to indicate where the shortcomings of the EOS are coming from. Based on the AS(T), a possible way to develop a real predictive equation of state is also suggested.展开更多
基金Supported by National Natural Science Foundation of China(Grant Nos.11671403 and 11671236)Henan Provincial General Natural Science Foundation Project(Grant No.232300420113)National Natural Science Foundation of China Youth Foud of China Youth Foud(Grant No.12101192).
文摘In this paper,we mainly focus on the following Choquard equation-{△u-V(x)(I_(a*)|u|^(p))|u|^(p-2)u=λu,x∈R^(N),u∈H^(1)(R^(N))where N≥1,λ∈R will arise as a Lagrange multiplier,0<a<N and N+a/N<p<N+a+2/N Under appropriate hypotheses on V(x),we prove that the above Choquard equation has a normalized ground state solution by utilizing variational methods.
基金supported by President Foundation of Chinese Academy of Sciences and National Natural Science Foundation of China under Grant Nos. 10775097 and 10874174
文摘By introducing a fictitious mode to be a counterpart mode of the system mode under review we introduce the entangled state representation (η|, which can arrange master equations of density operators p(t) in quantum statistics as state-vector evolution equations due to the elegant properties of (η|. In this way many master equations (respectively describing damping oscillator, laser, phase sensitive, and phase diffusion processes with different initial density operators) can be concisely solved. Specially, for a damping process characteristic of the decay constant k we find that the matrix element of p(t) at time t in 〈η| representation is proportional to that of the initial po in the decayed entangled state (ηe^-kt| representation, accompanying with a Gaussian damping factor. Thus we have a new insight about the nature of the dissipative process. We also set up the so-called thermo-entangled state representation of density operators, ρ = f(d^2η/π)(η|ρ〉D(η), which is different from all the previous known representations.
文摘Encouraged by the wide spectrum of novel applications of gas hydrates,e.g.,energy recovery,gas separation,gas storage,gas transportation,water desalination,and hydrogen hydrate as a green energy resource,as well as CO2 capturing,many scientists have focused their attention on investigating this important phenomenon.Of course,from an engineering viewpoint,the mathematical modeling of gas hydrates is of paramount importance,as anticipation of gas hydrate stability conditions is effective in the design and control of industrial processes.Overall,the thermodynamic modeling of gas hydrate can be tackled as an equilibration of three phases,i.e.,liquid,gas,and solid hydrate.The inseparable component in all hydrate systems,water,is highly polar and non-ideal,necessitating the use of more advanced equation of states(EoSs) that take into account more intermolecular forces for thermodynamic modeling of these systems.Motivated by the ever-increasing number of publications on this topic,this study aims to review the application of associating EoSs for the thermodynamic modeling of gas hydrates.Three most important hydrate-based models available in the literature including the van der Waals-Platteeuw(vdW-P) model,Chen-Guo model,and Klauda-Sandler model coupled with and SAFT EoSs were investigated and compared with cubic EoSs.It was concluded that the CPA and SAFT EoSs gave very accurate results for hydrate systems as they take into account the association interactions,which are very crucial in gas hydrate systems in which water,methanol,glycols,and other types of associating compounds are available.Moreover,it was concluded that the CPA EoS is easier to use than the SAFT-type EoSs and our suggestion for the gas hydrate systems is the CPA EoS.
基金supported by the National Natural Science Foundation of China[Grant Nos.51938011 and 51908405]Australian Research Council。
文摘Adopting the classical theory of hydrocodes,the constitutive relations of concretes are separated into an equation of state(EoS)which describes the volumetric behavior of concrete material and a strength model which depicts the shear properties of concrete.The experiments on the EoS of concrete is always challenging due to the technical difficulties and equipment limitations,especially for the specimen size effect on the EoS.Although some researchers investigate the shock properties of concretes by fly-plate impact tests,the specimens used in their tests are usually in one size.In this paper,the fly-plate impact tests on concrete specimens with different sizes are performed to investigate the size effect on the shock properties of concrete materials.The mechanical background of the size effect on the shock properties are revealed,which is related to the lateral rarefaction effect and the deviatoric stress produced in the specimen.According to the tests results,the modified EoS considering the size effect on the shock properties of concrete are proposed,which the bulk modulus of concrete is unpredicted by up to 20% if size effects are not accounted for.
基金Supported by the National Natural Science Foundation of China
文摘Based on the statistical theory for chemical association,equations of state for hard-spherechain fluids(HSCFs)and square-well chain fluids(SWCFs)can be derived through the n-particlecavity correlation function(CCF)of the corresponding reference system,where n is the chain lengthor the number of segments of a chain molecule.The reference system is a fluid composed of only cor-responding monomers.In this work,the n-particle CCF is approximated by a product of effectivetwo-particle CCFs which accounts for correlations in nearest-neighbour and next-to-nearest-neighboursegment pairs.The CCFs for SWCFs may be expressed by a product of the corresponding functionfor HSCFs and a perturbation term originated from the square-well attractive potential.All these ef-fective two-particle CCFs and perturbation terms are density dependent.The dependence is determinedmainly by using computer-simulation results.The obtained equations can excellently describecompressibility factors and second Virial coefficients for
基金Supported by the Deutsche Forschungsgemeinschaft (LE 886/4-1) and the Foundation of Zhejiang Province for Scholars Returned from Abroad.
文摘Cubic equations of state (EOS) have been combined with the absolute rate theory of Eyring to calculate viscosities of liquid mixtures. A modified Huron-Vidal gE-mixing rule is employed in the calculation and in comparison with the van Laar and the Redlich-Kister-type mixing rule. The EOS method gives an accurate correlation of liquid viscosities with an overall average deviation less than 1% for 67 binary systems including aqueous solutions. It is also successful in extrapolating viscosity data over a certain temperature range using parameters obtained from the isotherm at a given temperature and in predicting viscosities of ternary solutions from binary parameters for either polar or associated systems.
文摘Systems biology requires the development of algorithms that use omics data to infer interaction networks among biomolecules working within an organism. One major type of evolutionary algorithm, genetic programming (GP), is useful for its high heuristic ability as a search method for obtaining suitable solutions expressed as tree structures. However, because GP determines the values of parameters such as coefficients by random values, it is difficult to apply in the inference of state equations that describe oscillatory biochemical reaction systems with high nonlinearity. Accordingly, in this study, we propose a new GP procedure called “k-step GP” intended for inferring the state equations of oscillatory biochemical reaction systems. The k-step GP procedure consists of two algorithms: 1) Parameter optimization using the modified Powell method—after genetic operations such as crossover and mutation, the values of parameters such as coefficients are optimized by applying the modified Powell method with secondary convergence. 2) GP using divided learning data—to improve the inference efficiency, imposes perturbations through the addition of learning data at various intervals and adaptations to these changes result in state equations with higher fitness. We are confident that k-step GP is an algorithm that is particularly well suited to inferring state equations for oscillatory biochemical reaction systems and contributes to solving inverse problems in systems biology.
基金the National Natural Science Foundation of China (11971393)。
文摘In this paper,we consider the nonlinear Kirchhoff type equation with a steep potential well−(a+b∫_(R)^(3)|∇u|^(2 )dx)Δu+λV(x)u=f(u)in R^(3),where a,b>0 are constants,λ is a positive parameter,V∈C(R3,R)is a steep potential well and the nonlinearity f∈C(R,R)satisfies certain assumptions.By applying a signchanging Nehari manifold combined with the method of constructing a sign-changing(PS)C sequence,we obtain the existence of ground state sign-changing solutions with precisely two nodal domains when λ is large enough,and find that its energy is strictly larger than twice that of the ground state solutions.In addition,we also prove the concentration of ground state sign-changing solutions.
基金the Deutsche Forschungsgemeinschaft (LE 886/4-1) the Foundation of Zhejiang Province for ScholarsReturned from Abroad
文摘Cubic equations of state EOS have been combined with the absolute rate theory of Eyring to calculate viscosities of liquid mixtures. A modified Huron-Vidal gE-mixing rule is employed in the calculation and in com- parison with the van Laar and the Redlich-Kister-type mixing rule. The EOS method gives an accurate correlation of liquid viscosities with an overall average deviation less than 1% for 67 binary systems including aqueous solu- tions. It is also successful in extrapolating viscosity data over a certain temperature range using parameters obtained from the isotherm at a given temperature and in predicting viscosities of ternary solutions from binary parameters for either polar or associated systems.
文摘Here we review a new class of mixing rules (hat have extended range of mixtures and conditions that can now be described by equation of state models. One characteristic of these mixing rules is that they simultaneously satisfy the boundary conditions of producing a second virial coefficient that is quadratic in mole fraction, and a free energy of mixing like that of an activity coefficient model at high density, though the mixing rule is itself independent of density. We show that using this mixing rule, various asymmetric, highly nonideal mixtures can be accurately described. One serendipitous result is that the parameters in this mixing rule model are almost independent of temperature, which allows accurate extrapolations of phase behavior to be made over large ranges of temperature and pressure.
文摘In the present work, effect of the attraction terms of four recently modified Peng-Robinson (MPR) equations of state on the prediction of solubility of caffeine, cholesterol, uracil and erythromycin was studied. The attraction terms of two of these equations are linear relative to the acentric factor and for the other two are exponential. It is found that the later show less deviation. Also interaction parameters for the studied systems are obtained and the percentage of average absolute relative deviation (%AARD) in each calculation is displayed.
文摘Progress in hydrate thermodynamic study necessitates robust and fast models to be incorporated in reservoir simulation softwares. However, numerous models presented in the literature makes selection of the best,proper predictive model a cumbersome task. It is of industrial interest to make use of cubic equations of state(EOS) for modeling hydrate equilibria. In this regard, this study focuses on evaluation of three common EOSs including Peng–Robinson, Soave–Redlich–Kwong and Valderrama–Patel–Teja coupled with van der Waals and Platteeuw theory to predict hydrate P–T equilibrium of a real natural gas sample. Each EOS was accompanied with three mixing rules, including van der Waals(vd W),Avlonitis non-density dependent(ANDD) and general nonquadratic(GNQ). The prediction of cubic EOSs was in sufficient agreement with experimental data and with overall AARD% of less than unity. In addition, PR plus ANDD proved to be the most accurate model in this study for prediction of hydrate equilibria with AARD% of 0.166.It was observed that the accuracy of cubic EOSs studied in this paper depends on mixing rule coupled with them,especially at high-pressure conditions. Lastly, the present study does not include any adjustable parameter to be correlated with hydrate phase equilibrium data.
基金Project supported by the Foundation for the Authors of the National Excellent Doctoral Thesis Award of China (200720)
文摘In this article, linear regular index 2 DAEs A(t)[D(t)x(t)]' + B(t)x(t) = q(t) are considered. Using a decoupling technique, initial condition and boundary condition are properly formulated. Regular index 1 DAEs are obtained by a regularization method. We study the behavior of the solution of the regularization system via asymptotic expansions. The error analysis between the solutions of the DAEs and its regularization system is given.
基金supported by the Natural Science Foundation of Heze University of Shandong Province,China (Grant No XY07WL01)the University Experimental Technology Foundation of Shandong Province,China (Grant No S04W138)
文摘By virtue of the well-behaved properties of the bipartite entangled states representation, this paper analyse and solves some master equations for generalized phase diffusion models, which seems concise and effective. This method can also be applied to solve other master equations.
基金Project (No. 50276054) supported by the National Natural Science Foundation of China
文摘In this paper, the LCVM mixing rule is extended to the multi-parameter equations of state by combining infi- nite-pressure and zero-pressure mixing rule models. The new LCVM-type mixing rule, coupled with Patel-Teja equation of state (EOS) is applied for vapor-liquid equilibria of different polar and non-polar systems in which the NRTL activity coefficient model is used to calculate the excess Gibbs free energy. The tested results agree well with existing experimental data within a wide range of temperatures and pressures. In comparison with the Van der Waals mixing rule, the new mixing rule gives much better corre- lations for the vapor-liquid equilibria of non-polar and polar systems.
基金supported by the National Natural Science Foundation of China(60874114)
文摘The relationship between the technique by state- dependent Riccati equations (SDRE) and Hamilton-Jacobi-lsaacs (HJI) equations for nonlinear H∞ control design is investigated. By establishing the Lyapunov matrix equations for partial derivates of the solution of the SDREs and introducing symmetry measure for some related matrices, a method is proposed for examining whether the SDRE method admits a global optimal control equiva- lent to that solved by the HJI equation method. Two examples with simulation are given to illustrate the method is effective.
文摘The importance of equations of state (EOS) has brought about the proliferation of hundreds of EOS. Nearly all prevailing cubic EOS could be regarded as the results of reforming the original vdW EOS. However, the accuracy of the vdW EOS is so low. In view of this, a new general equation is proposed that could be used to value or compare vdW type of EOS, and consequently develop a better vdW type of EOS.
基金Project supported by the National Natural Science Foundation of China (No. 10571158) and the DFG
文摘We consider the Cauchy problem, free boundary problem and piston problem for one-dimensional compressible Navier-Stokes equations with density-dependent viscosity. Using the reduction to absurdity method, we prove that the weak solutions to these systems do not exhibit vacuum states, provided that no vacuum states are present initially. The essential re- quirements on the solutions are that the mass and energy of the fluid are locally integrable at each time, and the Lloc1-norm of the velocity gradient is locally integrable in time.
基金This work was supported by the National Natural Sci- ence Foundation of China, (NSFC No. 10274055), the Natural Science Foundation of Gansu Province of China (No. 3ZS051-A25-027) and the Natural Science Foundation of Education Department of Gansu Province of China (No. 0410-01).
文摘The equation of state of MgSiO3 perovskite under high pressure and high temperature is simulated using the molecular dynamics method. It was found that the molecular dynamics simulation is very successful in accurately reproducing the measured molar volumes of MgSiO3 perovskite over a wide range of temperatures and pressures. The simulated equation of state of MgSiO3 perovskite matched experimental data at up to 140GPa at 300K, as well as the fitting data of others and results from the first-principles simulation based on the local density approximation. The simulated equations of state of MgSiO3 perovskite at higher temperatures and higher pressures also correspond to the other calculations. In addition, the volume compression data of MgSiO3 perovskite is simulated up to 120 GPa at 300, 900, 2000 and 3000 K, respectively.
文摘A new approach to the investigation of vdW type of equations of state (EOS) is developed by embedding a vapor pressure equation and a saturated liquid volume equation into vdW type EOS, which results in a new function AS(T). The AS(T) possesses the properties of an attractive parameter A(T), and if an EOS is accurate in the whole PVT space, then its numerical value equals A(T). As a useful tool for investigating EOS, the As(T) has been used to make comparisons among RKS, PRSVII, PT and ALS EOS, and to indicate where the shortcomings of the EOS are coming from. Based on the AS(T), a possible way to develop a real predictive equation of state is also suggested.