Explanation for the supersaturation-dependent morphology of monoclinic paracetamol

被引:58
作者
Boerrigter, SXM
Cuppen, HM
Ristic, RI
Sherwood, JN
Bennema, P
Meekes, H
机构
[1] Catholic Univ Nijmegen, Fac Sci, NSRIM, Dept Solid State Chem, NL-6525 ED Nijmegen, Netherlands
[2] Univ Sheffield, Dept Chem & Proc Engn, Sheffield S10 T2N, S Yorkshire, England
[3] Univ Strathclyde, Dept Pure & Appl Chem, Glasgow G1 1XL, Lanark, Scotland
关键词
D O I
10.1021/cg020012r
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
The growth morphology of monoclinic paracetamol as a function of the supersaturation is determined using Monte Carlo simulations based on the crystal structure. The results are compared with experimental results reported recently on both the morphology and the relevant growth mechanisms. The change of an elongated to a more bulky habit with increasing supersaturation is reproduced well by the simulations. The method used opens ways to predict the crystal morphology for real crystal structures in, dependence of supersaturation once information on the relevant growth mechanism for the various faces is known.
引用
收藏
页码:357 / 361
页数:5
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