Based on the virial theory, we proposed VLW equation of state of detonation products (VLW EOS). Its basic theory and applications were described. The distinct features of the VLW EOS were:First, the detonation perform...Based on the virial theory, we proposed VLW equation of state of detonation products (VLW EOS). Its basic theory and applications were described. The distinct features of the VLW EOS were:First, the detonation performance of the new high energy density materials could be predicted more reliably. Second, it had extensive application. The detonation parameters of both the condensed high energy density materials and the gaseous fuel air explosives could be calculated. Moreover, combustion performance of propellants could also be precisely calculated. The calculation results were satisfactory.展开更多
Making use of Weierstrass＇s theorem and Chebyshev＇s theorem and referring to the equations of state of the scaled-particle theory and the Pereus-Yevick integration equation, we demonstrate that there exists a sequen...Making use of Weierstrass＇s theorem and Chebyshev＇s theorem and referring to the equations of state of the scaled-particle theory and the Pereus-Yevick integration equation, we demonstrate that there exists a sequence of polynomials such that the equation of state is given by the limit of the sequence of polynomials. The polynomials of the best approximation from the third order up to the eighth order are obtained so that the Carnahan-Starling equation can be improved successively. The resulting equations of state are in good agreement with the simulation results on the stable fluid branch and on the metastable fluid branch.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
Alpha functions of Soave-Redlich-Kwong （SRK） equation of state proposed by Soave, Twu, and Luo were different in mathematic tendency. They were compared in modeling methane-alkanes equilibria with van der Waals mixi...Alpha functions of Soave-Redlich-Kwong （SRK） equation of state proposed by Soave, Twu, and Luo were different in mathematic tendency. They were compared in modeling methane-alkanes equilibria with van der Waals mixing rule and Modified Huron-Vidal （MHV1） mixing rule, respectively. Results showed that Luo＇s alpha function was a little more accurate than Soave＇s, and Twu＇s alpha function lacked accuracy in modeling methane-alkanes equilibrium. SRK equation of state was expanded as virial form, and then the equivalent terms were contrasted with terms of virial equation of state. Results showed that Soave＇s and Luo＇s alpha functions matched the tendency of virial coefficient better than Twu＇s, and Luo＇s alpha function matched better than Soave＇s in wide temperature range, which sustained the conclusions of phase equilibria calculation. Luo＇s alpha function keeps decreasing when Tr〉 1 and becomes negative at sufficient high temperature, thus the conventional cubic equation of state expressed pressure as the sum of repulsion pressure PR （〉0）, and attraction pressure PA （〈0） could be improved to be the sum of hard-sphere repulsion pressure PH （〉0） and intermolecular force pressure P1 （P1〈0 at low temperature and p1〉0 at sufficient high temperature）.展开更多
In this work the statistical mechanical equation of state was developed for volumetric properties of crystalline and amorphous polymer blends.The Ihm-Song-Mason equations of state(ISMEOS) based on temperature and dens...In this work the statistical mechanical equation of state was developed for volumetric properties of crystalline and amorphous polymer blends.The Ihm-Song-Mason equations of state(ISMEOS) based on temperature and density at melting point(T_m and ρ_m) as scaling constants were developed for crystalline polymers such as poly(propylene glycol) + poly(ethylene glycol)-200(PPG + PEG-200),poly(ethylene glycol) methyl ether-300(PEGME-350) + PEG-200 and PEGME-350 + PEG-600.Furthermore,for amorphous polymer blends containing poly(2,6-dimethyl-1,4-phenylene oxide)(PPO) + polystyrene(PS) and PS + poly(vinylmethylether)(PVME),the density and surface tension at glass transition(ρ_g and γ_g) were used for estimation of second Virial coefficient.The calculation of second Virial coefficients(B_2),effective van der Waals co-volume(b) and correction factor(α) was required for judgment about applicability of this model.The obtained results by ISMEOS for crystalline and amorphous polymer blends were in good agreement with the experimental data with absolute average deviations of 0.84%and 1.04%,respectively.展开更多
依据硬球流体的高阶维里系数性质,结合硬球流体物态方程的最新进展SK方程(Schultz A J,Kofk D A,2014),给出了一个新的硬球流体的物态方程.通过误差分析发现,新方程相对于SK方程,在低密度稳定区和高密度非稳定区对压缩因子的描述的误差...依据硬球流体的高阶维里系数性质,结合硬球流体物态方程的最新进展SK方程(Schultz A J,Kofk D A,2014),给出了一个新的硬球流体的物态方程.通过误差分析发现,新方程相对于SK方程,在低密度稳定区和高密度非稳定区对压缩因子的描述的误差明显降低,精度明显提高.与其它高精度的物态方程比较,在低密度稳态区域新方程的精度仅次于KLM方程;在高密度亚稳态区域新方程的精度仅次于TGM方程;在全密度区间内新方程的精度仅次于TGM方程.展开更多
基金Supported by the National Natural Science Foundation of China (Grant No. 1860382)the Science Foundation of China Academy of Engineering Physics (Grant Nos. 920513, 9401009 & 960577)
文摘Based on the virial theory, we proposed VLW equation of state of detonation products (VLW EOS). Its basic theory and applications were described. The distinct features of the VLW EOS were:First, the detonation performance of the new high energy density materials could be predicted more reliably. Second, it had extensive application. The detonation parameters of both the condensed high energy density materials and the gaseous fuel air explosives could be calculated. Moreover, combustion performance of propellants could also be precisely calculated. The calculation results were satisfactory.
文摘Making use of Weierstrass＇s theorem and Chebyshev＇s theorem and referring to the equations of state of the scaled-particle theory and the Pereus-Yevick integration equation, we demonstrate that there exists a sequence of polynomials such that the equation of state is given by the limit of the sequence of polynomials. The polynomials of the best approximation from the third order up to the eighth order are obtained so that the Carnahan-Starling equation can be improved successively. The resulting equations of state are in good agreement with the simulation results on the stable fluid branch and on the metastable fluid branch.
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
文摘Alpha functions of Soave-Redlich-Kwong （SRK） equation of state proposed by Soave, Twu, and Luo were different in mathematic tendency. They were compared in modeling methane-alkanes equilibria with van der Waals mixing rule and Modified Huron-Vidal （MHV1） mixing rule, respectively. Results showed that Luo＇s alpha function was a little more accurate than Soave＇s, and Twu＇s alpha function lacked accuracy in modeling methane-alkanes equilibrium. SRK equation of state was expanded as virial form, and then the equivalent terms were contrasted with terms of virial equation of state. Results showed that Soave＇s and Luo＇s alpha functions matched the tendency of virial coefficient better than Twu＇s, and Luo＇s alpha function matched better than Soave＇s in wide temperature range, which sustained the conclusions of phase equilibria calculation. Luo＇s alpha function keeps decreasing when Tr〉 1 and becomes negative at sufficient high temperature, thus the conventional cubic equation of state expressed pressure as the sum of repulsion pressure PR （〉0）, and attraction pressure PA （〈0） could be improved to be the sum of hard-sphere repulsion pressure PH （〉0） and intermolecular force pressure P1 （P1〈0 at low temperature and p1〉0 at sufficient high temperature）.
文摘In this work the statistical mechanical equation of state was developed for volumetric properties of crystalline and amorphous polymer blends.The Ihm-Song-Mason equations of state(ISMEOS) based on temperature and density at melting point(T_m and ρ_m) as scaling constants were developed for crystalline polymers such as poly(propylene glycol) + poly(ethylene glycol)-200(PPG + PEG-200),poly(ethylene glycol) methyl ether-300(PEGME-350) + PEG-200 and PEGME-350 + PEG-600.Furthermore,for amorphous polymer blends containing poly(2,6-dimethyl-1,4-phenylene oxide)(PPO) + polystyrene(PS) and PS + poly(vinylmethylether)(PVME),the density and surface tension at glass transition(ρ_g and γ_g) were used for estimation of second Virial coefficient.The calculation of second Virial coefficients(B_2),effective van der Waals co-volume(b) and correction factor(α) was required for judgment about applicability of this model.The obtained results by ISMEOS for crystalline and amorphous polymer blends were in good agreement with the experimental data with absolute average deviations of 0.84%and 1.04%,respectively.
文摘依据硬球流体的高阶维里系数性质,结合硬球流体物态方程的最新进展SK方程(Schultz A J,Kofk D A,2014),给出了一个新的硬球流体的物态方程.通过误差分析发现,新方程相对于SK方程,在低密度稳定区和高密度非稳定区对压缩因子的描述的误差明显降低,精度明显提高.与其它高精度的物态方程比较,在低密度稳态区域新方程的精度仅次于KLM方程;在高密度亚稳态区域新方程的精度仅次于TGM方程;在全密度区间内新方程的精度仅次于TGM方程.
