{"title":"Shortcut model to evaluate the performance of continuous preferential crystallization for conglomerates forming chiral systems","authors":"","doi":"10.1016/j.ces.2024.120539","DOIUrl":null,"url":null,"abstract":"<div><p>The separation of two enantiomers of a chiral molecule is one of the most difficult tasks for separation technology. Among the available methods, Preferential Crystallization (PC) offers a relatively simple and efficient possibility to separate pairs of enantiomers of conglomerate forming chiral systems. To estimate the potential and to design PC processes, mathematical process models are required. Recently, a short-cut model (SCM) was developed which was found capable to predict the course of batch-wise operated PC until nucleation of the unseeded counter-enantiomer terminates the exploitable production period. In this paper the SCM is reformulated in a dimensionless way and extended to describe also more productive continuous operation of PC. Characteristic dimensionless numbers are demonstrated to be instructive to evaluate effects of system specific kinetic parameters and to identify suitable operating conditions. The sensitivity of the continuous PC process with respect to the most relevant model parameters is investigated based on simulation results. Finally, the role of the SCM in the workflow of designing continuous PC processes is summarized.</p></div>","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":null,"pages":null},"PeriodicalIF":4.1000,"publicationDate":"2024-07-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S000925092400839X/pdfft?md5=68b23d9d4e3b0aa96e6df440ffcd5558&pid=1-s2.0-S000925092400839X-main.pdf","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Chemical Engineering Science","FirstCategoryId":"5","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S000925092400839X","RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"ENGINEERING, CHEMICAL","Score":null,"Total":0}
引用次数: 0
Abstract
The separation of two enantiomers of a chiral molecule is one of the most difficult tasks for separation technology. Among the available methods, Preferential Crystallization (PC) offers a relatively simple and efficient possibility to separate pairs of enantiomers of conglomerate forming chiral systems. To estimate the potential and to design PC processes, mathematical process models are required. Recently, a short-cut model (SCM) was developed which was found capable to predict the course of batch-wise operated PC until nucleation of the unseeded counter-enantiomer terminates the exploitable production period. In this paper the SCM is reformulated in a dimensionless way and extended to describe also more productive continuous operation of PC. Characteristic dimensionless numbers are demonstrated to be instructive to evaluate effects of system specific kinetic parameters and to identify suitable operating conditions. The sensitivity of the continuous PC process with respect to the most relevant model parameters is investigated based on simulation results. Finally, the role of the SCM in the workflow of designing continuous PC processes is summarized.
分离手性分子的两种对映体是分离技术中最困难的任务之一。在现有的方法中,优先结晶(PC)为分离形成手性系统的对映体提供了相对简单而高效的可能性。要估计 PC 的潜力并设计 PC 工艺,需要数学工艺模型。最近开发的短程模型 (SCM) 能够预测批量操作 PC 的过程,直至未成核的对映体成核终止可利用的生产期。本文以无量纲方式对 SCM 进行了重新表述,并将其扩展用于描述 PC 的连续生产过程。结果表明,无量纲特性数有助于评估系统特定动力学参数的影响,并确定合适的操作条件。根据模拟结果,研究了连续式 PC 工艺对最相关模型参数的敏感性。最后,总结了单片机在连续 PC 工艺设计工作流程中的作用。
期刊介绍:
Chemical engineering enables the transformation of natural resources and energy into useful products for society. It draws on and applies natural sciences, mathematics and economics, and has developed fundamental engineering science that underpins the discipline.
Chemical Engineering Science (CES) has been publishing papers on the fundamentals of chemical engineering since 1951. CES is the platform where the most significant advances in the discipline have ever since been published. Chemical Engineering Science has accompanied and sustained chemical engineering through its development into the vibrant and broad scientific discipline it is today.