Shiyang Chai, Zehua Ren, Sibei Ji, Xinyu Zheng, Li Zhou, Lei Zhang* and Xu Ji,
{"title":"基于螺旋生长模型和晶格玻尔兹曼法探索溶解对多维粒度分布的影响","authors":"Shiyang Chai, Zehua Ren, Sibei Ji, Xinyu Zheng, Li Zhou, Lei Zhang* and Xu Ji, ","doi":"10.1021/acs.iecr.4c0210310.1021/acs.iecr.4c02103","DOIUrl":null,"url":null,"abstract":"<p >In the crystallization process, crystal morphology is one of the important indicators to measure the quality of the crystal products. However, the existing crystal size distribution ignores this key information. In this paper, a multidimensional particle size distribution prediction method based on the spiral growth model and the Lattice Boltzmann method (LBM) is proposed. First, the spiral growth model is used to establish the growth kinetic equations of the main crystal faces. Then, the established kinetic equations are combined with the multidimensional particle balance model. Next, the above model is solved by LBM. Finally, the above model is applied to two cases (benzoic acid and ibuprofen) to further explore the influence of the solvation effect on the particle size distribution and verified by crystallization experiments. The results show that the simulation and experimental values are in good agreement in the size range with a large number of particles.</p>","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"63 47","pages":"20633–20650 20633–20650"},"PeriodicalIF":3.9000,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Exploring the Influence of Solvation on Multidimensional Particle Size Distribution Based on the Spiral Growth Model and the Lattice Boltzmann Method\",\"authors\":\"Shiyang Chai, Zehua Ren, Sibei Ji, Xinyu Zheng, Li Zhou, Lei Zhang* and Xu Ji, \",\"doi\":\"10.1021/acs.iecr.4c0210310.1021/acs.iecr.4c02103\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p >In the crystallization process, crystal morphology is one of the important indicators to measure the quality of the crystal products. However, the existing crystal size distribution ignores this key information. In this paper, a multidimensional particle size distribution prediction method based on the spiral growth model and the Lattice Boltzmann method (LBM) is proposed. First, the spiral growth model is used to establish the growth kinetic equations of the main crystal faces. Then, the established kinetic equations are combined with the multidimensional particle balance model. Next, the above model is solved by LBM. Finally, the above model is applied to two cases (benzoic acid and ibuprofen) to further explore the influence of the solvation effect on the particle size distribution and verified by crystallization experiments. The results show that the simulation and experimental values are in good agreement in the size range with a large number of particles.</p>\",\"PeriodicalId\":39,\"journal\":{\"name\":\"Industrial & Engineering Chemistry Research\",\"volume\":\"63 47\",\"pages\":\"20633–20650 20633–20650\"},\"PeriodicalIF\":3.9000,\"publicationDate\":\"2024-11-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Industrial & Engineering Chemistry Research\",\"FirstCategoryId\":\"5\",\"ListUrlMain\":\"https://pubs.acs.org/doi/10.1021/acs.iecr.4c02103\",\"RegionNum\":3,\"RegionCategory\":\"工程技术\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"ENGINEERING, CHEMICAL\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Industrial & Engineering Chemistry Research","FirstCategoryId":"5","ListUrlMain":"https://pubs.acs.org/doi/10.1021/acs.iecr.4c02103","RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"ENGINEERING, CHEMICAL","Score":null,"Total":0}
Exploring the Influence of Solvation on Multidimensional Particle Size Distribution Based on the Spiral Growth Model and the Lattice Boltzmann Method
In the crystallization process, crystal morphology is one of the important indicators to measure the quality of the crystal products. However, the existing crystal size distribution ignores this key information. In this paper, a multidimensional particle size distribution prediction method based on the spiral growth model and the Lattice Boltzmann method (LBM) is proposed. First, the spiral growth model is used to establish the growth kinetic equations of the main crystal faces. Then, the established kinetic equations are combined with the multidimensional particle balance model. Next, the above model is solved by LBM. Finally, the above model is applied to two cases (benzoic acid and ibuprofen) to further explore the influence of the solvation effect on the particle size distribution and verified by crystallization experiments. The results show that the simulation and experimental values are in good agreement in the size range with a large number of particles.
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.