利用改进型Lennard-Jones势能函数状态方程对聚乙二醇物质密度性质的研究  

Application of the Extended Lennard-Jones Potential-Based Equation of State to Predict the Density for Polyethylene Glycols

作　　者：何思源 卢银彬 He Siyuan;Lu Yinbin(Guizhou Vocational and Technical College of Water Resources and Hydropower,Guiyang Guizhou 550000;College of Mechanical Engineering,Xi'an Shiyou University,Xi'an Shaanxi 710065)

机构地区：[1]贵州水利水电职业技术学院,贵州贵阳550000 [2]西安石油大学机械工程学院,陕西西安710065

出　　处：《山西化工》2022年第9期3-6,共4页Shanxi Chemical Industry

基　　金：陕西省自然科学基金(2020JQ-772)。

摘　　要：聚乙二醇类物质具有毒性低、辛烷值高、可生物降解等优点,被用作化学合成与加工行业的环保型溶剂等用途而得到广泛使用。本文大量收集了近年来文献中报道的关于乙二醇、丙二醇、二甘醇、三甘醇、四甘醇、五甘醇、六甘醇与聚乙二醇400一共8种聚乙二醇类物质在高温高压下的密度实验数据,并利用改进型Lennard-Jones势能函数状态方程对聚乙二醇类物质在广阔的温度与压强范围的密度性质展开研究,根据所研究物质的密度实验值回归得到了该状态方程下的方程系数,密度预测值与文献实验值的绝对平均偏差为0.085%,取得良好的关联结果,可以满足工程实际应用需要。Polyethylene glycols are widely used in chemical synthesis and processing as green solvents because of their nontoxicity,octane-enhancement and biodegradability.The studied pure components include ethylene glycol,propylene glycol,diethylene glycol,triethylene glycol,tetraethylene glycol,pentaethylene glycol,hexaethylene glycol and PEG400,in this work,the extended Lennard-Jones potential-based EOS are applied to calculate the density of these polymers up to high temperatures and pressures,the temperature and pressure dependence parameters for each fluid are also regressed with experimental densities reported in literatures,the average absolute deviation between calculated and experimental values is less than 0.085%,showing the good capability of this equation of state to correlate the density over wide ranges of temperate and pressure.Good correlation results are obtained,which can meet the needs of practical engineering applications.

关 键 词：聚乙二醇 改进型 LENNARD-JONES 状态方程 高温高压 密度 

分 类 号：TQ012[化学工程]