The present work uses the concept of a scaled particle along with the perturbation and variation approach, to develop an equation of state （EOS） for a mixture of hard sphere （HS）, Lennar-Jones （L J） fluids. A su...The present work uses the concept of a scaled particle along with the perturbation and variation approach, to develop an equation of state （EOS） for a mixture of hard sphere （HS）, Lennar-Jones （L J） fluids. A suitable flexible functional form for the radial distribution function G（R） is assumed for the mixture, with R as a variable. The function G（R） has an arbitrary parameter m and a different equation of state can be obtained with a suitable choice of m. For m = 0.75 and m = 0.83 results are close to molecular dynamics （MD） result for pure HS and LJ fluid respectively.展开更多
Covering a wide range of bulk densities, density profiles for hard-sphere chain fluids (HSCFs) with chain length of 3,4,8,20,32 and 64 confined between two surfaces were obtained by Monte Carlo simulations using exten...Covering a wide range of bulk densities, density profiles for hard-sphere chain fluids (HSCFs) with chain length of 3,4,8,20,32 and 64 confined between two surfaces were obtained by Monte Carlo simulations using extended continuum configurational-bias (ECCB) method. It is shown that the enrichment of beads near surfaces is happened at high densities due to the bulk packing effect, on the contrary, the depletion is revealed at low densities owing to the configurational entropic contribution. Comparisons with those calculated by density functional theory presented by Cai et al. indicate that the agreement between simulations and predictions is good. Compressibility factors of bulk HSCFs calculated using volume fractions at surfaces were also used to test the reliability of various equations of state of HSCFs by different authors.展开更多
A coupled numerical method for the direct numerical simulation of particle-fluid systems is formulated and implemented, resolving an order of magnitude smaller than particle size. The particle motion is described by t...A coupled numerical method for the direct numerical simulation of particle-fluid systems is formulated and implemented, resolving an order of magnitude smaller than particle size. The particle motion is described by the time-driven hard-sphere model, while the hydrodynamic equations governing fluid flow are solved by the lattice Boltzmann method （LBM）, Particle-fluid coupling is realized by an immersed boundary method （IBM）, which considers the effect of boundary on surrounding fluid as a restoring force added to the governing equations of the fluid. The proposed scheme is validated in the classical flow-around-cylinder simulations, and preliminary application of this scheme to fluidization is reported, demonstrating it to be a promising computational strategy for better understanding complex behavior in particle-fluid systems.展开更多
We consider the Navier-Stokes equations with a pressure function satisfying a hard-sphere law.That means the pressure,as a function of the density,becomes infinite when the density approaches a finite critical value.U...We consider the Navier-Stokes equations with a pressure function satisfying a hard-sphere law.That means the pressure,as a function of the density,becomes infinite when the density approaches a finite critical value.Under some structural constraints imposed on the pressure law,we show a weak-strong uniqueness principle in periodic spatial domains.The method is based on a modified relative entropy inequality for the system.The main difficulty is that the pressure potential associated with the internal energy of the system is largely dominated by the pressure itself in the area close to the critical density.As a result,several terms appearing in the relative energy inequality cannot be controlled by the total energy.展开更多
The equation of state(EOS) for hard-sphere fluid derived from compressibility routes of Percus-Yevick theory(PYC) is extended. The two parameters are determined by fitting well-known virial coefficients of pure fluid....The equation of state(EOS) for hard-sphere fluid derived from compressibility routes of Percus-Yevick theory(PYC) is extended. The two parameters are determined by fitting well-known virial coefficients of pure fluid.The extended cubic EOS can be directly extended to multi-component mixtures, merely demanding the EOS of mixtures also is cubic and combining two physical conditions for the radial distribution functions at contact(RDFC) of mixtures.The calculated virial coefficients of pure fluid and predicted compressibility factors and RDFC for both pure fluid and mixtures are excellent as compared with the simulation data. The values of RDFC for mixtures with extremely large size ratio 10 are far better than the BGHLL expressions in literature.展开更多
本文较为详细地介绍了自Van der Waals状态方程以来所发展的若干典型的状态方程,并对各类型的状态方程进行了评价。但到目前为止还没有一种状态方程能对任何物质在很大范围内都是通用的。特别对量子流体及某些强极性物质,任何状态方程...本文较为详细地介绍了自Van der Waals状态方程以来所发展的若干典型的状态方程,并对各类型的状态方程进行了评价。但到目前为止还没有一种状态方程能对任何物质在很大范围内都是通用的。特别对量子流体及某些强极性物质,任何状态方程都还有困难。当前的办法仍是将若干类状态方程同时并用,在不同场合选择最合适的方程使用。因此本文对于状态方程的详细的综述可以为工程设计及从事这方面研究的人员提供有价值的参考。展开更多
文摘The present work uses the concept of a scaled particle along with the perturbation and variation approach, to develop an equation of state （EOS） for a mixture of hard sphere （HS）, Lennar-Jones （L J） fluids. A suitable flexible functional form for the radial distribution function G（R） is assumed for the mixture, with R as a variable. The function G（R） has an arbitrary parameter m and a different equation of state can be obtained with a suitable choice of m. For m = 0.75 and m = 0.83 results are close to molecular dynamics （MD） result for pure HS and LJ fluid respectively.
基金Supported by the National Science Foundation of China (No. 29736170, No. 20025618) and the Doctoral Research Foundation by Ministry of Education of China (No. 1999025103). Additional support provided by the Visiting Researcher Foundation of University La
文摘Covering a wide range of bulk densities, density profiles for hard-sphere chain fluids (HSCFs) with chain length of 3,4,8,20,32 and 64 confined between two surfaces were obtained by Monte Carlo simulations using extended continuum configurational-bias (ECCB) method. It is shown that the enrichment of beads near surfaces is happened at high densities due to the bulk packing effect, on the contrary, the depletion is revealed at low densities owing to the configurational entropic contribution. Comparisons with those calculated by density functional theory presented by Cai et al. indicate that the agreement between simulations and predictions is good. Compressibility factors of bulk HSCFs calculated using volume fractions at surfaces were also used to test the reliability of various equations of state of HSCFs by different authors.
基金sponsored by Ministry of Finance under the grant ZDYZ2008-2National Key Science and Technology Project under the grant 2008ZX05014-003-006HZthe Chinese Academy of Sciences under the grant KGCX2-YW-124
文摘A coupled numerical method for the direct numerical simulation of particle-fluid systems is formulated and implemented, resolving an order of magnitude smaller than particle size. The particle motion is described by the time-driven hard-sphere model, while the hydrodynamic equations governing fluid flow are solved by the lattice Boltzmann method （LBM）, Particle-fluid coupling is realized by an immersed boundary method （IBM）, which considers the effect of boundary on surrounding fluid as a restoring force added to the governing equations of the fluid. The proposed scheme is validated in the classical flow-around-cylinder simulations, and preliminary application of this scheme to fluidization is reported, demonstrating it to be a promising computational strategy for better understanding complex behavior in particle-fluid systems.
基金the European Research Council under the European Union’s Seventh Framework Programme (Grant No. FP7/2007-2013)European Research Council (ERC) Grant Agreement (Grant No. 320078)The Institute of Mathematics of the Academy of Sciences of the Czech Republic was supported by Rozvoj Vyzkumn Organizace (RVO) (Grant No. 67985840)
文摘We consider the Navier-Stokes equations with a pressure function satisfying a hard-sphere law.That means the pressure,as a function of the density,becomes infinite when the density approaches a finite critical value.Under some structural constraints imposed on the pressure law,we show a weak-strong uniqueness principle in periodic spatial domains.The method is based on a modified relative entropy inequality for the system.The main difficulty is that the pressure potential associated with the internal energy of the system is largely dominated by the pressure itself in the area close to the critical density.As a result,several terms appearing in the relative energy inequality cannot be controlled by the total energy.
基金Supported by the Science and Technology Foundation of State Key Laboratory for Shock Wave and Detonation Physics under Grant No.9140C670103120C6702the Program for Excellent Talents of Sichuan Province of China under Grant No.2011JQ0053University Electronic Science and Technology of China under Grant No.23601008
文摘The equation of state(EOS) for hard-sphere fluid derived from compressibility routes of Percus-Yevick theory(PYC) is extended. The two parameters are determined by fitting well-known virial coefficients of pure fluid.The extended cubic EOS can be directly extended to multi-component mixtures, merely demanding the EOS of mixtures also is cubic and combining two physical conditions for the radial distribution functions at contact(RDFC) of mixtures.The calculated virial coefficients of pure fluid and predicted compressibility factors and RDFC for both pure fluid and mixtures are excellent as compared with the simulation data. The values of RDFC for mixtures with extremely large size ratio 10 are far better than the BGHLL expressions in literature.
文摘本文较为详细地介绍了自Van der Waals状态方程以来所发展的若干典型的状态方程,并对各类型的状态方程进行了评价。但到目前为止还没有一种状态方程能对任何物质在很大范围内都是通用的。特别对量子流体及某些强极性物质,任何状态方程都还有困难。当前的办法仍是将若干类状态方程同时并用,在不同场合选择最合适的方程使用。因此本文对于状态方程的详细的综述可以为工程设计及从事这方面研究的人员提供有价值的参考。
