A Modified Mixing Rule for PSRK Model and Application for the Prediction of Vapor-Liquid Equilibria of Polymer Solutions

• RESEARCH NOTES • Previous Articles Next Articles

A Modified Mixing Rule for PSRK Model and Application for the Prediction of Vapor-Liquid Equilibria of Polymer Solutions

LI Min^a; WANG Lisheng^a; J.Gmehling^b

^a Department of Chemical Engineering, Beijing Institute of Technology, Beijing 100081, China ^b University of Oldenburg, Technische Chemie, D-26111Ol denburg, Germany

Received:1900-01-01 Revised:1900-01-01 Online:2004-06-28 Published:2004-06-28
Contact: LI Min

PSRK模型的修正混合规则及其应用于聚合物溶液汽液平衡的预测

李敏^a; 王利生^a; J.Gmehling^b

^aDepartment of Chemical Engineering, Beijing Institute of Technology, Beijing 100081, China ^b University of Oldenburg, Technische Chemie, D-26111Ol denburg, Germany

通讯作者: 李敏

Abstract

Abstract: To extend the PSRK (predictive Soave-Redlich-Kwong equation of state) model to vapor-liquid equilibria of polymer solutions, a new EOS-gE mixing rule is applied in which the term ∑xiln(b/bi) in the PSRK mixing rule for the parameter a, and the combinatorial part in the original universal functional activity coefficient (UNIFAC) model are cancelled. To take into account the free volume contribution to the excess Gibbs energy in polymer solution, a quadratic mixing rule for the cross co-volume bij with an exponent equals to 1/2 is applied [bij^1/2=1/2(bi1/2+bj1/2)]. The literature reported Soave-Redlich-Kwong equation of state (SRK EOS) parameters of i3 - 2- pure polymer are employed. The PSRK model with the modified mixing rule is used to predict the vapor-liquid equilibrium (VLE) of 37 solvent-polymer systems over a large range of temperature and pressure with satisfactory results.

Key words: predictive Soave-Redlich-Kwong equation of state mixing rule, vapor-liquid equilibrium, polymer solutions

摘要： To extend the PSRK (predictive Soave-Redlich-Kwong equation of state) model to vapor-liquid equilibria of polymer solutions, a new EOS-gE mixing rule is applied in which the term ∑xiln(b/bi) in the PSRK mixing rule for the parameter a, and the combinatorial part in the original universal functional activity coefficient (UNIFAC) model are cancelled. To take into account the free volume contribution to the excess Gibbs energy in polymer solution, a quadratic mixing rule for the cross co-volume bij with an exponent equals to 1/2 is applied [bij^1/2=1/2(bi1/2+bj1/2)]. The literature reported Soave-Redlich-Kwong equation of state (SRK EOS) parameters of i3 - 2- pure polymer are employed. The PSRK model with the modified mixing rule is used to predict the vapor-liquid equilibrium (VLE) of 37 solvent-polymer systems over a large range of temperature and pressure with satisfactory results.

关键词: PSRK模式;混合工艺;聚合物;计算方法;UNIFAC模式

LI Min, WANG Lisheng, J.Gmehling. A Modified Mixing Rule for PSRK Model and Application for the Prediction of Vapor-Liquid Equilibria of Polymer Solutions[J]. .

李敏,王利生,J.Gmehling. PSRK模型的修正混合规则及其应用于聚合物溶液汽液平衡的预测[J]. CIESC Journal.

[1]	Erqi WANG, Shuzhou PENG, Zhen YANG, Yuanyuan DUAN. Evaluation of vapor-liquid equilibrium models for mixtures containing HFOs [J]. CIESC Journal, 2023, 74(8): 3216-3225.
[2]	Zirui WU, Rui SUN, Lingfeng SHI, Hua TIAN, Xuan WANG, Gequn SHU. A comparative and predictive study of the mixing rules for the vapor-liquid equilibria of CO₂-based mixtures [J]. CIESC Journal, 2022, 73(4): 1483-1492.
[3]	Hao XU, Wei CHEN, Zoulu LI. Study on the characteristics of the second type heat pump with [Li(TX-7)]SCN/H₂O as the working fluid pair [J]. CIESC Journal, 2022, 73(2): 577-586.
[4]	Xian WANG, Yanxing ZHAO, Xueqiang DONG, Xiaogang CHEN, Maoqiong GONG. Prediction of solid-liquid equilibrium of binary mixtures containing methane [J]. CIESC Journal, 2021, 72(8): 4009-4018.
[5]	Pan LI, Hui KONG, Zhuodong SONG, Zuoyi ZHANG, Yunfang WANG. Vapor-liquid equilibrium for methanol-formaldehyde-polyoxymethylene dimethyl ethers ternary system [J]. CIESC Journal, 2020, 71(S1): 7-14.
[6]	Zhuodong SONG, Zuoyi ZHANG, Xuelong PAN, Yunfang WANG. Determination and correlation of vapor-liquid equilibrium for polyoxymethylene dimethyl ether system [J]. CIESC Journal, 2020, 71(S1): 1-6.
[7]	Jinhui TAN, Jumei XU, Yunhai SHI. Measurement and correlation of vapor-liquid equilibria for ethanol-water-potassium acetate system under atmospheric pressure [J]. CIESC Journal, 2020, 71(8): 3444-3451.
[8]	Pei ZHENG, Linlin WANG, Jiezhen LIANG, Xiaopeng CHEN, Zhangfa TONG, Xiaojie WEI, Rui TANG. Vapor-liquid equilibrium for citral + α-ionone + β-ionone systems using headspace gas chromatography method [J]. CIESC Journal, 2020, 71(7): 2983-2992.
[9]	Yalong TAN, Gaoxiang SHU, Linfang CUI, Lianzhong ZHANG. Vapor-liquid equilibrium measurement featuring vapor phase sampling and synthetic liquid composition for systems containing ionic liquids [J]. CIESC Journal, 2020, 71(1): 225-230.
[10]	Jinzhi WU, Linlin WANG, Xiaopeng CHEN, Zhangfa TONG, Xiaoxiong FAN, Baofang LIANG. Determination and correlation of vapor-liquid equilibrium data for camphene+(+)-3-carene system [J]. CIESC Journal, 2019, 70(6): 2092-2101.
[11]	Yanxing ZHAO, Xian WANG, Xiaoyu YAO, Xueqiang DONG, Jun SHEN, Maoqiong GONG. Review on mixing rules in vapor-liquid equilibrium of mixtures [J]. CIESC Journal, 2019, 70(6): 2036-2050.
[12]	SUN Lixia, LIAO Dankui, WANG Kun, SUN Jianhua, TONG Zhangfa. Vapor-liquid equilibrium data for α-pinene + β-pinene + p-cymene at reduced pressure [J]. CIESC Journal, 2018, 69(7): 2822-2828.
[13]	ZHANG Qi, CHEN Wenqi, ZENG Aiwu. Force field construction for DMF and vapor-liquid phase equilibrium simulation of acetonitrile-methanol-DMF [J]. CIESC Journal, 2017, 68(2): 567-574.
[14]	ZHOU Feng, CHEN Changxu, XU Chunjian. Isobaric vapor-liquid equilibrium for binary systems of isoamyl acetate+isoamyl alcohol and isoamyl acetate+n-hexanol at 50.00 and 101.33 kPa [J]. CIESC Journal, 2017, 68(2): 560-566.
[15]	WANG Fengyang, LIANG Huanhuan, ZHOU Cairong. Vapor-liquid equilibrium for methanol + polyoxymethylene dimethyl ethers binary system under normal atmospheric pressure [J]. CIESC Journal, 2016, 67(7): 2685-2691.