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COMPUTER SIMULATION OF POLYMER SOLUTION THERMODYNAMICS

COMPUTER SIMULATION OF POLYMER SOLUTION THERMODYNAMICS
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摘要 The statistical counting method for the computer simulation of the thermodynamic quantities of polymer solution has been reviewed. The calculating results for a single athermal chain confirm the theory of the renormalization group. The results for the athermal solution are consistent with the scaling law of the osmotic pressure with the exponent 2.25. The results for a single chain with the segmental interaction are in a good agreement with the exact results obtained by the direct counting method. The results for the polymer solution show us that the Flory-Huggins parameter is strongly dependent on both the polymer concentration and the interaction energy between segments. (Author abstract) 15 Refs. The statistical counting method for the computer simulation of the thermodynamic quantities of polymer solution has been reviewed. The calculating results for a single athermal chain confirm the theory of the renormalization group. The results for the athermal solution are consistent with the scaling law of the osmotic pressure with the exponent 2.25. The results for a single chain with the segmental interaction are in a good agreement with the exact results obtained by the direct counting method. The results for the polymer solution show us that the Flory-Huggins parameter is strongly dependent on both the polymer concentration and the interaction energy between segments. (Author abstract) 15 Refs.
作者 赵得禄
出处 《Chinese Journal of Polymer Science》 SCIE CAS CSCD 1998年第2期97-105,共9页 高分子科学(英文版)
基金 This work was supported by the National Key Project for Fundamental Research"Macromolecular Condensed State",The State Science and Technology Commission of China
关键词 Monte Carlo simulation polymer solution thermodynamic quantities translational entropy conformational entropy scaling law Monte Carlo simulation polymer solution thermodynamic quantities translational entropy conformational entropy scaling law
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