文献类型：期刊文献

中文题名：EQUATIONS OF STATE FOR HARD-SPHERE CHAIN FLUIDS AND SQUARE-WELL CHAIN FLUIDS

英文题名：Equations of state for hard-sphere chain fluids and square-well chain fluids

作者：Liu, Honglai[1]; Rong, Zongming[1]; Hu, Ying[1]

机构：[1] East China Univ of Science and, Technology, Shanghai, China

年份：1996

卷号：4

期号：2

起止页码：95

中文期刊名：Chinese Journal of Chemical Engineering

外文期刊名：CHINESE JOURNAL OF CHEMICAL ENGINEERING

收录：CSTPCD;;EI(收录号：1996403281657);Scopus;WOS:【SCI-EXPANDED(收录号:WOS:A1996UX51400001)】；CSCD:【CSCD2011_2012】；

基金：Supported by the National Natural Science Foundation of China

语种：英文

中文关键词：equation;of;state;polymer;solution;polymer;blend;compressibility;factor;second;Virial;coefficient;statistical;theory;chemical;association

外文关键词：equation of state; polymer solution; polymer blend; compressibility factor; second Virial coefficient; statistical theory; chemical association

摘要：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
Based on the statistical theory for chemical association, equations of state for hard-sphere chain fluids (HSCFs) and square-well chain fluids (SWCFs) can be derived through the n-particle cavity correlation function (CCF) of the corresponding reference system, where n is the chain length or the number of segments of a chain molecule. The reference system is a fluid composed of only corresponding monomers. In this work, the n-particle CCF is approximated by a product of effective two-particle CCFs which accounts for correlations in nearest-neighbour and next-to-nearest-neighbour segment pairs. The CCFs for SWCFs may be expressed by a product of the corresponding function for HSCFs and a perturbation term originated from the square-well attractive potential. All these effective two-particle CCFs and perturbation terms are density dependent. The dependence is determined mainly by using computer-simulation results. The obtained equations can excellently describe compressibility factors and second Virial coefficients for HSCFs and SWCFs covering a wide range of chain length, better than other existing theories. The equations can be used as a basis for developing practical equations of state for polymer solutions and polymer blends.