Molecular Modeling for the Design of Novel Performance Chemicals and Materials
eBook - ePub

Molecular Modeling for the Design of Novel Performance Chemicals and Materials

  1. English
  2. ePUB (mobile friendly)
  3. Available on iOS & Android
eBook - ePub

Molecular Modeling for the Design of Novel Performance Chemicals and Materials

About this book

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

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Yes, you can access Molecular Modeling for the Design of Novel Performance Chemicals and Materials by Beena Rai in PDF and/or ePUB format, as well as other popular books in Physical Sciences & Condensed Matter. We have over one million books available in our catalogue for you to explore.

Information

Publisher
CRC Press
Year
2012
eBook ISBN
9781040197974
Topic
Physical Sciences
Subtopic
Condensed Matter

Table of contents

  1. Cover
  2. Half Title
  3. Title Page
  4. Copyright Page
  5. Dedication
  6. Table of Contents
  7. Foreword
  8. Preface
  9. Editor
  10. List of Contributors
  11. 1 Basic Concepts in Molecular Modeling
  12. 2 Rational Design of Selective Industrial Performance Chemicals Based on Molecular Modeling Computations
  13. 3 Molecular Modeling of Mineral Surface Reactions in Flotation
  14. 4 Molecular Dynamics Simulation Analysis of Solutions and Surfaces in Nonsulfide Flotation Systems
  15. 5 Application of Molecular Modeling in Pharmaceutical Crystallization and Formulation
  16. 6 Studies on the Microstructure in Water-Surfactant Systems Using Atomistic and Mesoscale Simulations
  17. 7 Molecular Simulation of Wetting Transitions on Novel Materials
  18. 8 Molecular Modeling of Capillary Condensation in Porous Materials
  19. 9 Solid-Liquid Phase Transition under Confinement
  20. 10 Computing Transport in Materials
  21. 11 Simulation of Crystals with Chemical Disorder at Lattice Sites
  22. 12 Design of Compound Semiconductor Alloys Using Molecular Simulations
  23. 13 Structural Properties of Cement Clinker Compound by First Principles Calculations
  24. 14 First Principles Modeling of the Atomic and Electronic Properties of Palladium Clusters Adsorbed on TiO2 Rutile (110) Surfaces