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萃取精馏分离共沸物的模拟中的相行为和热力学模型参数。

Phase Behavior and Thermodynamic Model Parameters in Simulations of Extractive Distillation for Azeotrope Separation.

机构信息

College of Chemical Engineering, Qingdao University of Science and Technology, Qingdao, 266042, China.

出版信息

Sci Rep. 2017 Aug 25;7(1):9497. doi: 10.1038/s41598-017-09088-2.

DOI:10.1038/s41598-017-09088-2
PMID:28842579
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC5573411/
Abstract

Extractive distillation (ED) processes for separating ternary mixtures of benzene-cyclohexane-toluene with dimethyl formamide (DMF) and N-methyl-2-pyrrolidone (NMP) were studied using Aspen Plus and PRO/II simulators. The Aspen Plus built-in binary interaction parameters for the toluene-DMF, benzene-NMP and cyclohexane-NMP systems resulted in inaccurate phase behavior calculations. The vapor-liquid equilibrium (VLE) for the three binary systems was regressed to illustrate the importance of using accurate model parameters. The obtained binary interaction parameters described the phase behavior more accurately compared with the built-in binary interaction parameters in Aspen Plus. In this study, the effects of the regressed and built-in binary interaction parameters on the ED process design are presented. The total annual cost (TAC) was calculated to further illustrate the importance of the regressed binary interaction parameters. The results show that phase behavior and thermodynamic model parameters should receive more attention during the research and development of ED processes.

摘要

使用 Aspen Plus 和 PRO/II 模拟器研究了用二甲基甲酰胺（DMF）和 N-甲基-2-吡咯烷酮（NMP）从苯-环己烷-甲苯三元混合物中进行萃取精馏（ED）的过程。对于甲苯-DMF、苯-NMP 和环己烷-NMP 体系，Aspen Plus 内置的二元相互作用参数导致相行为计算不准确。回归了三个二元系统的汽液平衡（VLE），以说明使用准确模型参数的重要性。与 Aspen Plus 中的内置二元相互作用参数相比，所得到的二元相互作用参数更准确地描述了相行为。在本研究中，介绍了回归和内置二元相互作用参数对 ED 过程设计的影响。计算了总年度成本（TAC），以进一步说明回归二元相互作用参数的重要性。结果表明，在 ED 过程的研究和开发中，应更加关注相行为和热力学模型参数。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b218/5573411/2362200d0db1/41598_2017_9088_Fig12_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b218/5573411/71332203d93b/41598_2017_9088_Fig1_HTML.jpg
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https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b218/5573411/f3e08cdad94d/41598_2017_9088_Fig3_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b218/5573411/76048194d5f7/41598_2017_9088_Fig4_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b218/5573411/53c43e1baf6d/41598_2017_9088_Fig5_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b218/5573411/193de6f8b738/41598_2017_9088_Fig6_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b218/5573411/266ecbb3db13/41598_2017_9088_Fig7_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b218/5573411/ed65edeae567/41598_2017_9088_Fig8_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b218/5573411/12d1f7d77bef/41598_2017_9088_Fig9_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b218/5573411/fc63d0277219/41598_2017_9088_Fig10_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b218/5573411/6232ec9cd94c/41598_2017_9088_Fig11_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b218/5573411/2362200d0db1/41598_2017_9088_Fig12_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b218/5573411/71332203d93b/41598_2017_9088_Fig1_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b218/5573411/05896dd30387/41598_2017_9088_Fig2_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b218/5573411/f3e08cdad94d/41598_2017_9088_Fig3_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b218/5573411/76048194d5f7/41598_2017_9088_Fig4_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b218/5573411/53c43e1baf6d/41598_2017_9088_Fig5_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b218/5573411/193de6f8b738/41598_2017_9088_Fig6_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b218/5573411/266ecbb3db13/41598_2017_9088_Fig7_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b218/5573411/ed65edeae567/41598_2017_9088_Fig8_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b218/5573411/12d1f7d77bef/41598_2017_9088_Fig9_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b218/5573411/fc63d0277219/41598_2017_9088_Fig10_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b218/5573411/6232ec9cd94c/41598_2017_9088_Fig11_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b218/5573411/2362200d0db1/41598_2017_9088_Fig12_HTML.jpg

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