A MultiScale Gibbs-Helmholtz Constrained Cubic Equation of State

Author:

Lucia Angelo1

Affiliation:

1. Department of Chemical Engineering, University of Rhode Island, Kingston, RI 02881, USA

Abstract

This paper presents a radically new approach to cubic equations of state (EOS) in which the Gibbs-Helmholtz equation is used to constrain the attraction or energy parameter, a. The resulting expressions for for pure components and for mixtures contain internal energy departure functions and completely avoid the need to use empirical expressions like the Soave alpha function. Our approach also provides a novel and thermodynamically rigorous mixing rule for . When the internal energy departure function is computed using Monte Carlo or molecular dynamics simulations as a function of current bulk phase conditions, the resulting EOS is a multiscale equation of state. The proposed new Gibbs-Helmholtz constrained (GHC) cubic equation of state is used to predict liquid densities at high pressure and validated using experimental data from literature. Numerical results clearly show that the GHC EOS provides fast and accurate computation of liquid densities at high pressure, which are needed in the determination of gas hydrate equilibria.

Publisher

Hindawi Limited

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy,Biophysics

Cited by 13 articles. 订阅此论文施引文献 订阅此论文施引文献,注册后可以免费订阅5篇论文的施引文献,订阅后可以查看论文全部施引文献

1. Phase behavior of mixtures involving glassy materials;Computers & Chemical Engineering;2020-04

2. A cubic equation of state for compounds with no critical point: Application to asphaltenes;Chemical Engineering Research and Design;2019-11

3. Understanding pore-level phenomena of n-alkanes at high pressures;Journal of Petroleum Science and Engineering;2018-06

4. Fully compositional multi-scale reservoir simulation of various CO 2 sequestration mechanisms;Computers & Chemical Engineering;2017-01

5. Some properties of the GHC equation of state;Computers & Chemical Engineering;2016-12

同舟云学术

1.学者识别学者识别

2.学术分析学术分析

3.人才评估人才评估

"同舟云学术"是以全球学者为主线,采集、加工和组织学术论文而形成的新型学术文献查询和分析系统,可以对全球学者进行文献检索和人才价值评估。用户可以通过关注某些学科领域的顶尖人物而持续追踪该领域的学科进展和研究前沿。经过近期的数据扩容,当前同舟云学术共收录了国内外主流学术期刊6万余种,收集的期刊论文及会议论文总量共计约1.5亿篇,并以每天添加12000余篇中外论文的速度递增。我们也可以为用户提供个性化、定制化的学者数据。欢迎来电咨询!咨询电话:010-8811{复制后删除}0370

www.globalauthorid.com

TOP

Copyright © 2019-2024 北京同舟云网络信息技术有限公司
京公网安备11010802033243号  京ICP备18003416号-3