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首页> 外文期刊>Chemical Engineering Research & Design: Transactions of the Institution of Chemical Engineers >On the predictive capabilities of CPA for applications in the chemical industry: Mulficomponent mixtures containing methyl-methacrylate, dimethyl-ether or acetic acid
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On the predictive capabilities of CPA for applications in the chemical industry: Mulficomponent mixtures containing methyl-methacrylate, dimethyl-ether or acetic acid

机译:对注册会计师的预测功能化学工业中的应用:Mulficomponent混合物包含甲基丙烯酸甲酯,二甲醚和醋酸酸

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摘要

The predictive performance of the CPA (Cubic-Plus-Association) equation of state for applications relevant to the chemical industry is illustrated in this work. Three such applications inspired by industrial requests/interest are illustrated here, all of which involve aqueous multicomponent mixtures exhibiting vapor-liquid (VLE) and/or liquid-liquid (LLE) equilibrium. The first two cases include mixtures of methyl-methacrylate with acetone or methanol and dimethyl-ether with ethanol, respectively. In these two cases, the classical form of CPA is used. The third case involves aqueous mixtures with acetic acid, esters, ethers and alcohols, and in this case for water-acetic acid the CPA-Huron Vidal (CPA-HV) version of the model is used. For the latter binary mixture, new CPA-HV binary parameter sets are estimated using, among others, data for activity coefficients at infinite dilutions. The modeling approach is similar in all three cases, i.e. the binary parameters are solely fitted to binary data and thus all multicomponent calculations are considered predictions.
机译:注册会计师的预测性能(Cubic-Plus-Association)状态方程应用程序相关的化学工业说明在这工作。灵感来源于工业/利息的请求说明,所有这些涉及到水多组分混合物表现出汽-液(1)和/或液-液(米歇尔)平衡。前两个案例包括混合物甲基丙烯酸甲酯与丙酮或甲醇和分别与乙醇、二甲醚。这两种情况下,注册会计师的古典形式使用。与醋酸酯类、醚类、醇类,在这种情况下water-acetic酸CPA-Huron维达尔(CPA-HV)版本的模型使用。二进制参数集估计使用等其他活动系数数据无限稀释。在所有三个案例相似,即二进制仅仅安装二进制数据和参数因此所有的多组分计算考虑预测。

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