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Solvent Effects and Its Role in Quantitative Manipulating the Crystal Growth: Benzoic Acid as Case Study

Abstract

In the pharmaceutical industry, the solvent effect is a fundamental and profound factor in controlling the crystal morphology and leading to different physical and chemical properties of raw materials. Quantitative understanding of the crystal habit modification controlled by solvents is still lacking for manipulating the crystal shapes and aspect ratios during crystal growth processes. Herein, the effect of solvents on crystal growth of benzoic acid (BA) was studied through morphology analysis of observed crystals, in conjunction with molecular dynamic (MD) simulation. The aspect ratio of experimental crystals of BA in 16 selected solvents was found to decrease with increasing solvent polarity. Moreover, the molecular size of solvents determined aspect ratio changes was also proposed and discussed in detail. Through agreement the MD simulation, we accurately reproduced the experimental crystal morphology and aspect ratio in alcohols. This work allows us to have a quantitative understanding of the role played by solvents on aspect ratio and morphology changes of BA crystals.

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Publication details

The article was received on 08 Mar 2017, accepted on 09 May 2017 and first published on 15 May 2017


Article type: Paper
DOI: 10.1039/C7CE00474E
Citation: CrystEngComm, 2017, Accepted Manuscript
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    Solvent Effects and Its Role in Quantitative Manipulating the Crystal Growth: Benzoic Acid as Case Study

    Y. Wang and Z. Liang, CrystEngComm, 2017, Accepted Manuscript , DOI: 10.1039/C7CE00474E

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