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Crystallization solvent design based on a new quantitative prediction model of crystal morphology |
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| Authors: | Shiyang Chai Enhui Li Lei Zhang Jian Du Qingwei Meng |
| Affiliation: | 1. Institute of Chemical Process Systems Engineering, School of Chemical Engineering, Dalian University of Technology, Dalian, China
Contribution: Data curation (equal), Investigation (equal), Methodology (equal), Resources (equal), Validation (equal), Writing - original draft (equal);2. Institute of Chemical Process Systems Engineering, School of Chemical Engineering, Dalian University of Technology, Dalian, China Contribution: Data curation (equal), Investigation (equal), Methodology (equal);3. Institute of Chemical Process Systems Engineering, School of Chemical Engineering, Dalian University of Technology, Dalian, China;4. Institute of Chemical Process Systems Engineering, School of Chemical Engineering, Dalian University of Technology, Dalian, China Contribution: Resources (equal), Supervision (equal), Writing - review & editing (equal);5. Department of Pharmaceutical Science, School of Chemical Engineering, Dalian University of Technology, Dalian, China |
| Abstract: | |
| Keywords: | computer-aided molecular design crystal morphology crystallization solvent decomposition algorithm molecular dynamics |