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 vel products/materials development rather than a tool for direct invation. As a result, MM engineers and practitioners are often seized with the question: How do I leverage these tools to develop vel 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 t 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.
Beena Rai is a Senior Scientist at the Tata Research Development and Design Centre in Pune, India.
Taylor & Francis Inc
Date of Publication
Science & Mathematics: Textbooks & Study Guides
Place of Publication
Country of Publication
CRC Press Inc
193 black & white illustrations, 51 black & white tables