Molecular Modeling Applications in Crystallization

Molecular Modeling Applications in Crystallization

by Allan S. Myerson
     
 

ISBN-10: 0521019516

ISBN-13: 9780521019514

Pub. Date: 07/31/2005

Publisher: Cambridge University Press

Crystallization is an important purification process used in a broad range of industries, including pharmaceuticals, foods, and bulk chemicals. In recent years, molecular modeling has emerged as a useful tool in the analysis and solution of problems associated with crystallization. This book offers a general introduction to molecular modeling techniques and their…  See more details below

Overview

Crystallization is an important purification process used in a broad range of industries, including pharmaceuticals, foods, and bulk chemicals. In recent years, molecular modeling has emerged as a useful tool in the analysis and solution of problems associated with crystallization. This book offers a general introduction to molecular modeling techniques and their application in crystallization. After explaining the basic concepts of molecular modeling and crystallization, the book discusses how modeling techniques are used to solve a variety of practical problems related to crystal size, shape, internal structure, and properties. With chapters written by leading experts and an emphasis on problem solving, this book will appeal to scientists, engineers, and graduate students involved in research and the production of crystalline materials.

Product Details

ISBN-13:
9780521019514
Publisher:
Cambridge University Press
Publication date:
07/31/2005
Pages:
368
Product dimensions:
6.97(w) x 9.96(h) x 0.75(d)

Table of Contents

List of Contributors
Preface
1Introduction to Molecular Modeling1
2Crystallization Basics55
3The Study of Molecular Materials Using Computational Chemistry106
4Towards an Understanding and Control of Nucleation, Growth, Habit, Dissolution, and Structure of Crystals Using "Tailor-Made" Auxiliaries166
5Ionic Crystals in the Hartman-Perdok Theory with Case Studies: ADP (NH[subscript 4]H[subscript 2]PO[subscript 4])-type Structures and Gel-Grown Fractal Ammonium Chloride (NH[subscript 4]Cl)228
6The Solid-State Structure of Chiral Organic Pharmaceuticals313
Index347

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