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LIU Honglai; Rong Zongming; HU Ying
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刘洪来; 戎宗明; 胡英
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Abstract: 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 HSCFs and SWCFs covering a wide range ofchain length,better than other existing theories.The equations can be used as a basis for developingpractical equations of state for polymer solutions and polymer blends.
Key words: equation of state, polymer solution, polymer blend, compressibility factor, second Virial coefficient, statistical theory
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 HSCFs and SWCFs covering a wide range ofchain length,better than other existing theories.The equations can be used as a basis for developingpractical equations of state for polymer solutions and polymer blends.
关键词: equation of state;polymer solution;polymer blend;compressibility factor;second Virial coefficient;statistical theory;chemical association
LIU Honglai, Rong Zongming, HU Ying. EQUATIONS OF STATE FOR HARD-SPHERE CHAIN FLUIDS AND SQUARE-WELL CHAIN FLUIDS[J]. .
刘洪来, 戎宗明, 胡英. EQUATIONS OF STATE FOR HARD-SPHERE CHAIN FLUIDS AND SQUARE-WELL CHAIN FLUIDS[J]. CIESC Journal.
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