Calculation of phase equilibrium of alkanolamines systems with CPA equation of state based on Shield-Sticky model

MA Jun; LI Jinlong; PENG Changjun; LIU Honglai; HU Ying

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Calculation of phase equilibrium of alkanolamines systems with CPA equation of state based on Shield-Sticky model

更新时间：2025-12-10

- Calculation of phase equilibrium of alkanolamines systems with CPA equation of state based on Shield-Sticky model
- CIESC Journal Issue 7, Pages: 1734-1739(2010)
- 作者机构：
  
  华东理工大学化学工程国家重点实验室，化学系
- 作者简介：
- 基金信息：
- DOI：
  CLC：
- Online First：05 July 2010，
  
  Published：05 July 2010
- 稿件说明：
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MA Jun, LI Jinlong, PENG Changjun, et al. Calculation of phase equilibrium of alkanolamines systems with CPA equation of state based on Shield-Sticky model[J]. CIESC Journal, 2010, (7): 1734-1739.
DOI：

MA Jun, LI Jinlong, PENG Changjun, et al. Calculation of phase equilibrium of alkanolamines systems with CPA equation of state based on Shield-Sticky model[J]. CIESC Journal, 2010, (7): 1734-1739. DOI：

摘要

考虑到醇胺及其混合物中分子间存在缔合作用的事实，结合立方型PR状态方程，通过引入基于黏滞球模型（SSM）发展起来的缔合流体的分子热力学模型，建立了一个新的CPA(cubic-plus-association)状态方程，即CPA-SSM，并将方程应用到醇胺系统相平衡的计算中。通过关联对比温度0.55～0.90范围下醇胺流体的实验饱和蒸气压和液相体积得到了8种醇胺流体的分子参数。结果表明， CPA-SSM方程可满意地计算出醇胺饱和蒸气压和液体密度，总平均误差分别只有0.57%和1.80%。对醇胺混合物，无论是恒压还是恒温系统，只需引入一个与温度无关的可调参数，CPA-SSM方程即可满意关联二元系统的汽液平衡数据，并可进一步预测多元混合物的汽液平衡。

Abstract

Considering an association contribution

combining cubic P-R model with an association contribution

a new CPA (cubic-plus-association) equation of state (EoS) was presented in this paper. The association term was directly computed with association equation which was proposed based on the Shield-Sticky model(SSM).The new CPA-SSM EoS was then used for descriptions of phase behavior of pure alkanolamine fluids and their mixtures. New molecular parameters for 8 alkanolamines were obtained by fitting experimental saturated vapor pressures and liquid densities at reduced temperature range from 0.55 to 0.90. The overall average deviations of saturated vapor pressure and liquid density were only 0.57% and 1.80% respectively. Using an adjustable parameter independent temperature

satisfactory calculations for binary isothermal and isobaric vapor-liquid equilibria (VLE) were obtained. In addition

this model can successfully reproduce VLE of multi-component mixtures in virtue of binary information.

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Related Author

LIU Honglai

PENG Changjun

HE Changchun

LI Jinlong

HE Qing

LI Yongwang

CAO Liren

HAO Xu

Related Institution

华东理工大学化学系，化学工程国家重点实验室

中国科学院山西煤炭化学研究所煤转化国家重点实验室

中国科学院研究生院

中国科学院工程热物理研究所

北京科技大学机械工程学院

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