CAS OpenIR
A perspective review on mixing effect for modeling and simulation of reactive and antisolvent crystallization processes
Qu, Yanli1,2; Cheng, Jingcai1,3; Mao, Zai-Sha1; Yang, Chao1,2,3
2021-02-01
Source PublicationREACTION CHEMISTRY & ENGINEERING
ISSN2058-9883
Volume6Issue:2Pages:183-196
Abstract

Reactive and antisolvent crystallization processes are efficient techniques for the production of fine chemicals and pharmaceuticals. These processes are usually characterized by high levels of supersaturation and fast primary crystallization kinetics. Understanding the mixing mechanism and its interaction with various crystallization phenomena is advantageous for achieving robust control of these crystallization processes and the desired crystal properties. Much modeling effort has been devoted to accounting for the combined effects of mixing on various scales and the complicated kinetic phenomena involved in these processes as complementary to experimental investigations. This article provides a review on the numerical simulation of reactive and antisolvent crystallization processes with an emphasis on modeling the mixing effect. Relevant Lagrangian mechanistic micromixing models and probability density function (PDF) approaches are introduced followed by simulation examples from the literature. Various examples are categorized into four groups according to the different coupling between mixing, crystallization kinetics and flow field. Also, some suggestions on further model development are given to enhance their predictive performances and broaden the range of application.

DOI10.1039/d0re00223b
Language英语
Funding ProjectNational Natural Science Foundation of China[21938009] ; National Natural Science Foundation of China[21776284] ; National Natural Science Foundation of China[91934301] ; National Key Research and Development Program[2019YFC1904204] ; External Cooperation Program of BIC, Chinese Academy of Sciences[122111KYSB20190032] ; Key Research Program of Frontier Sciences, CAS[QYZDJ-SSW-JSC030]
WOS Research AreaChemistry ; Engineering
WOS SubjectChemistry, Multidisciplinary ; Engineering, Chemical
Funding OrganizationNational Natural Science Foundation of China ; National Key Research and Development Program ; External Cooperation Program of BIC, Chinese Academy of Sciences ; Key Research Program of Frontier Sciences, CAS
WOS IDWOS:000616272700001
PublisherROYAL SOC CHEMISTRY
Citation statistics
Document Type期刊论文
Identifierhttp://ir.ipe.ac.cn/handle/122111/43648
Collection中国科学院过程工程研究所
Corresponding AuthorCheng, Jingcai; Yang, Chao
Affiliation1.Chinese Acad Sci, Inst Proc Engn, CAS Key Lab Green Proc & Engn, Beijing 100190, Peoples R China
2.Univ Chinese Acad Sci, Sch Chem Engn, Beijing 100049, Peoples R China
3.Chinese Acad Sci, Innovat Acad Green Manufacture, Beijing 100190, Peoples R China
Recommended Citation
GB/T 7714
Qu, Yanli,Cheng, Jingcai,Mao, Zai-Sha,et al. A perspective review on mixing effect for modeling and simulation of reactive and antisolvent crystallization processes[J]. REACTION CHEMISTRY & ENGINEERING,2021,6(2):183-196.
APA Qu, Yanli,Cheng, Jingcai,Mao, Zai-Sha,&Yang, Chao.(2021).A perspective review on mixing effect for modeling and simulation of reactive and antisolvent crystallization processes.REACTION CHEMISTRY & ENGINEERING,6(2),183-196.
MLA Qu, Yanli,et al."A perspective review on mixing effect for modeling and simulation of reactive and antisolvent crystallization processes".REACTION CHEMISTRY & ENGINEERING 6.2(2021):183-196.
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