STATISTICAL ASSOCIATING FLUID THEORY INCLUDING CRITICAL POINTS(Ⅰ) NONPOLAR FLUIDS

MI Jianguo; CHEN Jian

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STATISTICAL ASSOCIATING FLUID THEORY INCLUDING CRITICAL POINTS(Ⅰ) NONPOLAR FLUIDS

更新时间：2025-12-10

- STATISTICAL ASSOCIATING FLUID THEORY INCLUDING CRITICAL POINTS(Ⅰ) NONPOLAR FLUIDS
- CIESC Journal Issue 12, (2001)
- 作者机构：
  
  清华大学化学工程系
- 作者简介：
- 基金信息：
- DOI：
  CLC：
- Online First：25 December 2001，
  
  Published：25 December 2001
- 稿件说明：
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MI Jianguo, CHEN Jian. STATISTICAL ASSOCIATING FLUID THEORY INCLUDING CRITICAL POINTS(Ⅰ) NONPOLAR FLUIDS[J]. CIESC Journal, 2001, (12).
DOI：

MI Jianguo, CHEN Jian. STATISTICAL ASSOCIATING FLUID THEORY INCLUDING CRITICAL POINTS(Ⅰ) NONPOLAR FLUIDS[J]. CIESC Journal, 2001, (12). DOI：

摘要

从适合于临界点的计算出发

对统计缔合流体理论方程进行改进 :(1)对链状分子的每个链节考虑其非球形度 ;(2 )提出必须考虑链节成链时对色散作用的影响 .建立了扩展的统计缔合流体理论状态方程

对于正构烷烃和异构烷烃的计算表明

该方程计算温度范围大

从低温区到临界区

特别是在临界点附近精度有明显提高

临界点的计算值和实验值基本符合 .扩展了理论状态方程的适用性

可望用于各种含临界区域流体体系的热力学计算

Abstract

Statistical associating fluid theory (SAFT) is modified with two improvements.One improvement is the consideration of the segment shape of chain molecules in the reference term with the Hard Convex Body equation of state.The other is the change of dispersion term because of the chain formation.The first improvement makes better expression of critical points for small non-sphere molecules and the second for chain molecules.With these two modifications

the theoretical critical compressibility factor of the extended SAFT is in the range of 0.23-0.31

that is the same as those of such real nonpolar fluids as alkanes.The extended SAFT is used to correlate and predict saturated pressures and saturated liquid densities with the average relative deviations less than 1% for most of n -alkanes and branched alkanes.Meanwhile the predicted critical temperatures

pressures and densities are in good agreement with experimental ones.This equation of state can be used in thermodynamic calculation for systems with components in the critical region.

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