Prediction of the growth morphology of aminoacid crystals in solution I.: α-glycine

被引：39

作者：

Lin, CH

Gabas, N

Canselier, JP

Pepe, G

机构：

[1] UPS, INPT, ENSIGC, UMR CNRS 5503,Lab Genie Chim, F-31078 Toulouse 4, France

[2] CNRS, CRMC2, F-13288 Marseille, France

来源：

JOURNAL OF CRYSTAL GROWTH | 1998年 / 191卷 / 04期

关键词：

crystal morphology; molecular modelling; solvent; additive; glycine;

D O I：

10.1016/S0022-0248(98)00130-4

中图分类号：

O7 [晶体学];

学科分类号：

0702 ; 070205 ; 0703 ; 080501 ;

摘要：

A modified attachment energy model is developed, attempting to predict morphologies of crystals in aqueous solution, and even in the presence of adsorbing additives. Calculation of the habit of glycine (alpha-form) crystals in vacuo and in pure water, by means of the GenMol software, yields successful predictions. Our model mainly justifies the occurrence of the {120} form in aqueous solution, not predicted by the classical growth morphology (BFDH or attachment energy) models. (C) 1998 Elsevier Science B.V. All rights reserved.

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收藏

页码：791 / 802

页数：12

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