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Crystals
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Crystallization Processes and Simulation Calculations, Fourth Edition
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Crystallization Processes and Simulation Calculations, Fourth Edition

A special issue of Crystals (ISSN 2073-4352). This special issue belongs to the section "Industrial Crystallization".

Deadline for manuscript submissions: 20 September 2026 | Viewed by 2031

Special Issue Editors

Dr. Mingyang Chen

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Guest Editor
School of Chemical Engineering and Technology, Tianjin University, Tianjin 300072, China
Interests: crystallization process; spherical crystallization; nucleation; crystal growth; crystal agglomeration; simulation; particle engineering
Special Issues, Collections and Topics in MDPI journals
Prof. Dr. Jinbo Ouyang

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Guest Editor
School of Chemistry, Biology and Materials Science, East China University of Technology, Nanchang 330013, China
Interests: polymorph nucleation; template-assisted crystallization; cocrystallization design; porous biochar composites
Special Issues, Collections and Topics in MDPI journals
Dr. Mingxuan Li

E-Mail Website
Guest Editor
School of Chemical Engineering and Technology, Tianjin University, Tianjin 300072, China
Interests: crystallization process; process analytical technology; mathematical modeling; crystal growth; crystal agglomeration

Special Issue Information

Dear Colleagues,

Following the remarkable success of the previous editions of this topic, entitled “Crystallization Process and Simulation Calculation” (https://www.mdpi.com/journal/crystals/special_issues/crystallization_process2; https://www.mdpi.com/journal/crystals/special_issues/9LVS3K8K6Q; https://www.mdpi.com/journal/crystals/special_issues/23EZ8T6N09), we are pleased to announce the fourth edition.

The inherent challenges of strong coupling, nonlinearity, and large lagging in crystallization processes make designing robust, well-characterized processes for high-quality products demanding. The development of process analytical technology (PAT) for rapid, accurate inline/online measurements, alongside simulation technologies (e.g., molecular dynamics, hydrodynamics), provides multiscale insights. The integration of artificial intelligence (AI) and machine learning (ML) also offers powerful new approaches for process design and control, enabling advanced modeling, optimization, and real-time decision-making. These combined experimental, simulation, and AI/ML tools offer innovative strategies for designing and controlling crystallization processes, enabling the production of products with target quality attributes and predictable performance.

This Special Issue, titled “Crystallization Processes and Simulation Calculations, Fourth Edition”, serves to provide a platform for researchers to report results and findings regarding AI-enhanced crystallization process technologies, simulation and process analytical technologies, and relevant crystallization studies.

Dr. Mingyang Chen
Prof. Dr. Jinbo Ouyang
Dr. Mingxuan Li
Guest Editors

Manuscript Submission Information

Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All submissions that pass pre-check are peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 250 words) can be sent to the Editorial Office for assessment.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Crystals is an international peer-reviewed open access monthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 2100 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.

Keywords

  • process analytical technology
  • process intensification
  • AI-enhanced crystallization
  • machine learning
  • multi-objective optimization
  • molecular dynamics simulation
  • hydrodynamics simulation

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Related Special Issues

Published Papers (2 papers)

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Research

16 pages, 2665 KB  
Article
Direct Nucleation Control with External Heating Loop: Process System Engineering, Simulation and Experimental Investigation
by Josip Budimir Sacher, Nenad Bolf and Manon Rogue
Crystals 2026, 16(4), 248; https://doi.org/10.3390/cryst16040248 - 8 Apr 2026
Viewed by 198
Abstract
The aim of this work was to explore and test the concept of a novel direct nucleation control method with external dissolution of fine crystals (E-DNC). It was postulated that the heating cycles of the internal DNC method could be transferred from the [...] Read more.
The aim of this work was to explore and test the concept of a novel direct nucleation control method with external dissolution of fine crystals (E-DNC). It was postulated that the heating cycles of the internal DNC method could be transferred from the crystallizer jacket to an electrically heated recirculation tube, thereby using less energy and requiring a shorter time compared to internal DNC. The conceptual model was explored and developed by reviewing previous research on the topic and addressing known drawbacks. Engineering experience and a heuristic approach led to the conclusion that five commonly used controllers would suffice for a straightforward implementation of the method. A simplified simulation was developed to compare the time and energy requirements for the internal and external DNC methods, and it was concluded that external DNC uses 37% less energy and 19% less time compared to internal DNC. The laboratory system was then constructed by modifying the internal DNC apparatus with inexpensive and commonly used components. A linear cooling experiment was performed to establish the baseline for comparison with E-DNC experiments and to set the expected count range. The E-DNC experiments were then conducted with the aim of obtaining larger crystal sizes, and it was shown that the process could be designed in only three experiments. Adjusting the heating rate and count limit led to a significant increase in median crystal size (22.5%) compared to linear cooling. Full article
(This article belongs to the Special Issue Crystallization Processes and Simulation Calculations, Fourth Edition)
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16 pages, 2329 KB  
Article
Preparation of High-Purity Potassium Chloride Crystal Particles in an Octadecylamine Hydrochloride–Water System: The Correlation Between Morphology and Purity
by Yuchun Ren, Linjin Song, Mingyang Chen, Haitao Feng, Mingxuan Li and Jiaoyu Peng
Crystals 2025, 15(11), 958; https://doi.org/10.3390/cryst15110958 - 5 Nov 2025
Viewed by 1377
Abstract
In salt lake KCl cold decomposition–direct flotation for K-Na separation, octadecylamine hydrochloride (ODA-H) acts as a collector, reducing product purity and limiting high-end applications of salt lake KCl. To study KCl purification mechanisms and optimize crystal properties, this study investigates ODA-H aqueous systems. [...] Read more.
In salt lake KCl cold decomposition–direct flotation for K-Na separation, octadecylamine hydrochloride (ODA-H) acts as a collector, reducing product purity and limiting high-end applications of salt lake KCl. To study KCl purification mechanisms and optimize crystal properties, this study investigates ODA-H aqueous systems. By regulating the cooling rate, stirring rate, and ODA-H concentration, the crystallization purification of KCl and precise control of its morphology were achieved, ultimately yielding three typical crystal morphologies: cubic, spherical, and ellipsoidal. Of the three crystal morphologies, spherical crystals have the best flowability but lowest purity. Ellipsoidal crystals have better flowability than cubic ones: their purity exceeds that of cubic crystals before washing but falls below it after washing. Cubic crystals, with poorer flowability, reach the highest purity post-washing. This study provides a theoretical basis for enhancing purity via crystal morphology regulation and industrial-scale purification of salt lake KCl. Full article
(This article belongs to the Special Issue Crystallization Processes and Simulation Calculations, Fourth Edition)
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