跨接VTSRK方程计算烃类的<em>pVT</em>性质

引用本文: 申爱景, 段远源, 杨震. 跨接VTSRK方程计算烃类的pVT性质[J]. 物理化学学报, 2014, 30(8): 1426-1431. doi: 10.3866/PKU.WHXB201405231 shu

Citation: SHEN Ai-Jing, DUAN Yuan-Yuan, YANG Zhen. pVT Properties of Alkanes Using Crossover VTSRK Equation of State[J]. Acta Physico-Chimica Sinica, 2014, 30(8): 1426-1431. doi: 10.3866/PKU.WHXB201405231 shu

跨接VTSRK方程计算烃类的pVT性质

基金项目:
国家自然科学基金（51236004）资助项目

摘要:

烃类pVT性质的精细表征对能源动力、化工等领域应用有重要价值，临界区热力性质描述是难点之一.本文建立了烷烃（C1-C20）的跨接比容平移Soave-Redlich-Kwong（SRK）（跨接VTSRK）状态方程，在SRK状态方程的基础上引入了比容平移和跨接方法，以改善饱和液相密度和近临界区域热力学性质的计算精度，方程参数被表达为物质临界参数和偏心因子的函数. 比较结果表明，跨接方程对烷烃（C1-C20）饱和蒸气压、饱和气相密度、饱和液相密度的计算平均偏差分别为1.01%、1.83%和0.93%，显著优于原方程，单相区和近临界区的pVT性质计算精度也比原状态方程有较大改善. 进一步将方程推广到环烷烃（环丙烷、环戊烷和环己烷）和苯、甲苯的计算，也获得了较好效果，验证了方程的预测能力.

关键词:

English

pVT Properties of Alkanes Using Crossover VTSRK Equation of State

1.
Beijing Key Laboratory for CO₂ Utilization and Reduction Technology, Key Laboratory of Thermal Science and Power Engineering of Ministry of Education, Tsinghua University, Beijing 100084, P. R. China
Received Date: 24 March 2014
Available Online: 18 July 2014
Fund Project:
国家自然科学基金（51236004）资助项目

Abstract:

Accurate predictions of the pVT properties of alkanes are very important since they are associated with many fundamental aspects in energy, power engineering, and chemical engineering fields. Predicting the properties of alkanes in the critical region, however, remains challenging. In this work, a crossover volume translation Soave-Redlich-Kwong (SRK) equation of state (EoS) was developed for C1 to C20 alkanes, in which volume translation and crossover methods were combined to improve the description of saturated liquid densities and thermodynamic properties in the critical region. The parameters of the crossover equation are set as constants or expressed as functions of critical parameters and the acentric factor. Comparisons showed that the average deviations of the crossover volume translation SRK equation results for C1 to C20 alkanes were 1.01% for vapor pressure, 1.83% for saturated vapor density, and 0.93% for saturated liquid density, and these deviations are much lower than those obtained with the SRK equation of state. In addition, prediction results for properties in the single phase region and the critical region from the crossover equation were in better agreement with experimental data than those from the SRK equation. The crossover volume translation SRK equation was also extended to the pVT properties of cycloalkanes (cyclopropane, cyclopentane, and cyclohexane), benzene and toluene. The prediction results were also satisfactory, demonstrating the superior predictive ability of the crossover equation of state.

Key words:

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1.
沈阳化工大学材料科学与工程学院沈阳 110142

跨接VTSRK方程计算烃类的pVT性质

English

pVT Properties of Alkanes Using Crossover VTSRK Equation of State

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通讯作者: 陈斌, bchen63@163.com

中国化学会秘书处

跨接VTSRK方程计算烃类的pVT性质

English

pVT Properties of Alkanes Using Crossover VTSRK Equation of State

CCS Chemistry：嵌段共聚物自组装成 “三明治”二维有机材料，实现纳米级压力传感功能

CCS Chemistry：颜徐州、鲍哲南： 你的皮肤可能是一片SPMs

CCS Chemistry：工作高效不疲劳，只须让催化剂动起来

CCS Chemistry：静电组装导向聚合- 聚电解质纳米凝胶量化制备新策略

CCS Chemistry：金黄色葡萄球菌醛基脱氢酶是如何识别特异性底物的？

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