Molecular Modeling for the Design of Novel Performance Chemicals and Materials

Beena Rai

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Paperback

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English

CRC Press
21 October 2019

Condensed matter physics (liquid state & solid state physics); Physical chemistry; Industrial chemistry

"Molecular modeling (MM) tools offer significant benefits in the design of industrial chemical plants and material processing operations. While the role of MM in biological fields is well established, in most cases MM works as an accessory in novel products/materials development rather than a tool for direct innovation. As a result, MM engineers and practitioners are often seized with the question: ""How do I leverage these tools to develop novel materials or chemicals in my industry?""

Molecular Modeling for the Design of Novel Performance Chemicals and Materials answers this important question via a simple and practical approach to the MM paradigm. Using case studies, it highlights the importance and usability of MM tools and techniques in various industrial applications. The book presents detailed case studies demonstrating diverse applications such as mineral processing, pharmaceuticals, ceramics, energy storage, electronic materials, paints, coatings, agrochemicals, and personal care.

The book is divided into themed chapters covering a diverse range of industrial case studies, from pharmaceuticals to cement. While not going too in-depth into fundamental aspects, the book covers almost all paradigms of MM, and references are provided for further learning. The text includes more than 100 color illustrations of molecular models."

Edited by: Beena Rai
Imprint: CRC Press
Country of Publication: United Kingdom
Dimensions: Height: 254mm, Width: 178mm,
Weight: 739g
ISBN: 9780367381578
ISBN 10: 0367381575
Pages: 400
Publication Date: 21 October 2019
Audience: College/higher education , Professional and scholarly , Further / Higher Education , Undergraduate
Format: Paperback
Publisher's Status: Active

Beena Rai is a Senior Scientist at the Tata Research Development and Design Centre in Pune, India.

Reviews for Molecular Modeling for the Design of Novel Performance Chemicals and Materials

Illustrated with a wealth of color images and process diagrams, the book will be of interest to practicing engineers and chemists. --SciTech News, Vol. 66, September 2012