通过共溶提高FDCA的生产:从分子机理到两种分离途径的过程模拟

IF 3.9 3区 工程技术 Q2 ENGINEERING, CHEMICAL
Shilei Zhou, Zhenkai Cen, Dongbo Wang and Lina Zhou*, 
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引用次数: 0

摘要

考虑到石油化工资源的逐渐枯竭和塑料垃圾问题的日益严重,可再生和可生物降解的聚呋喃酸聚乙烯(PFE)材料具有替代不可生物降解的石油基塑料的潜力。2,5-呋喃二羧酸(FDCA)是聚四氟乙烯(PFE)生产中必不可少的单体,其工业生产受到了广泛关注。但FDCA在纯溶剂中的溶解度较差,增加了工艺过程中的功耗,限制了FDCA的分离。本文采用共溶溶剂法设计了三种溶剂,以提高分离效果。通过光谱分析和分子模拟,进一步阐明了共溶机理。理论上,三种共溶体系的溶解度分别提高了2倍、5倍和7倍。四氢呋喃(THF)和水的结晶过程模拟表明,与纯THF溶剂相比,产率提高了3.8倍以上,且能耗低于精馏。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

Enhancing the Production of FDCA by Cosolvency: From Molecular Mechanisms to Process Simulation of Two Separation Routes

Enhancing the Production of FDCA by Cosolvency: From Molecular Mechanisms to Process Simulation of Two Separation Routes

Considering the gradual depletion of petrochemical resources and the growing problem of plastic waste, the renewable and biodegradable polyethylene furanoate (PFE) material has the potential to replace nonbiodegradable petroleum-based plastics. 2,5-Furandicarboxylic acid (FDCA) is an essential monomer in the production of PFE, and its industrial production has received widespread attention. However, FDCA has poor solubility in pure solvents, which increases power consumption in the process and limits the separation of FDCA. In this paper, three solvents were designed by cosolvency to enhance the separation process. Through spectral analysis and molecular simulations, the mechanism of cosolvency was further elucidated. In theory, the solubility in the three designed cosolvency systems was enhanced by 2, 5, and 7 times, respectively. The crystallization process simulation in tetrahydrofuran (THF) and water showed that the yield was enhanced above 3.8 times compared to the pure THF solvents, and the power consumption was less than distillation.

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来源期刊
Industrial & Engineering Chemistry Research
Industrial & Engineering Chemistry Research 工程技术-工程:化工
CiteScore
7.40
自引率
7.10%
发文量
1467
审稿时长
2.8 months
期刊介绍: ndustrial & Engineering Chemistry, with variations in title and format, has been published since 1909 by the American Chemical Society. Industrial & Engineering Chemistry Research is a weekly publication that reports industrial and academic research in the broad fields of applied chemistry and chemical engineering with special focus on fundamentals, processes, and products.
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