基于ELJ势能函数状态方程预测聚醚类物质在高温高压条件下的密度
何思源;卢银彬;吕涛;
摘要(Abstract)：
聚乙二醇类物质具有辛烷值高、污染性小等优点，在石油化工领域作为柴油燃料添加剂等用途被广泛使用。文章收集大量文献，利用乙二醇乙醚、二甘醇甲醚、二甘醇乙醚、四甘醇单甲醚、二甘醇二甲醚、二甘醇二乙醚、三甘醇二甲醚与四甘醇二甲醚8种聚醚类物质在高温、高压下的PVT试验数据，基于ELJ势能函数状态方程对聚醚类物质在高温、高压条件下的密度进行关联计算，根据PVT试验数据回归得到ELJ状态方程下的方程系数。结果表明，密度预测值与文献试验数据间的绝对平均偏差为0.017%，取得良好的预测效果，能够满足工程应用的实际需要。
关键词(KeyWords)： 聚醚类物质;ELJ势能函数状态方程;密度预测
基金项目(Foundation): 陕西省自然科学基金（2020JQ-772）
作者(Authors): 何思源;卢银彬;吕涛;
DOI: 10.19301/j.cnki.zncs.2022.04.002
参考文献(References)：
- [1]Soave G.Equilibrium constants from a modified Redlich-Kwong equation of state[J].Chemical Engineering Science,1972,27:1197-1203.
- [2]Peng D Y,Robinson D B.A new two-constant equation of state[J].Industrial And Engineering Chemistry Research,1976,15:59-64.
- [3]Magoulas K,Tassios D P.Thermophysical properties of nalkanes from C1 to C20 and their prediction for higher ones[J].Fluid Phase Equilibria,1990,56:119-140.
- [4]De S,Ungerer P,Batut C,et al.Measurement and prediction of volumetric and transport properties of reservoir fluids at high pressure[J].Oil&Gas Science and Technology,1998,53:265-281.
- [5]Voutsas E C,Pappa G D,Magoulas K,et al.Vapor liquid equilibrium modeling of alkane systems with equations of state:Simplicity versus complexity[J].Fluid Phase Equilibria,2006,240:127-139.
- [6]Brignole E A,Cismondi M,Mollerup J.Rescaling of threeparameter equations of state:PC-SAFT and SPHCT[J].Fluid Phase Equilibria,2005,234:108-121.
- [7]Baled H,Enick R M,Wu Y,et al.Prediction of hydrocarbon densities at extreme conditions using volumetranslated SRK and PR equations of state fit to high temperature,high pressure PVTdata[J].Fluid Phase Equilib,2012,317:65-76.
- [8]Abareshi M,Moosavi M.Application of the extended LJpotential-based equation of state to predict the density of five different classes of refrigerant systems(HCFCs,HFCs,HFEs,PFAs and PFAAs)[J].Physics and Chemistry of Liquids,2016,54:487-498.
- [9]Moosavi M,Abareshi M.High temperature-high pressure density prediction of hydrocarbon systems using an extended LJpotential-based equation of state[J].The Journal of Supercritical Fluids,2012,68:71-80.
- [10]Farzi N,Fateminasab F.Average intermolecular interaction in ionic liquids and a new equation of state[J].Journal of Molecular Liquids,2017,227:268-279.
- [11]Parsafar G A,Mason E A.Linear isotherms for dense fluids:Anew regularity[J].Journal of Physical Chemistry,1993,97:9048-9053.
- [12]Ghatee M H,Bahadori M.New thermodynamic regularity for cesium over the whole liquid range[J].Journal of Physical Chemistry,2001,105:11256-11263.
- [13]Parsafar G A,Spohr H V,Patey G N.An accurate equation of state for fluids and solids[J].Journal of Physical Chemistry,2009,113:11977-11987.
- [14]Navarro P,Crespo E A,Costa J M L,et al.New experimental data and modeling of glymes:Towards the development of a predictive model for polyethers[J].Industrial and Engineering Chemistry Research,2017,56:7830-7844.
- [15]Lifi M,Bazile J P,Munoz-Rujas N,et al.Density,viscosity and derivative properties of diethylene glycol monoethyl ether under high pressure and temperature[J].Journal of Chemical and Engineering Data,2021,66:1457-1465.
- [16]Comunas M J P,Reghem P,Baylaucq A,et al.High-pressure volumetric properties of three monoethylene glycol alkyl ethers[J].Journal of Chemical and Engineering Data,2004,49:1344-1349.