Molecular Modeling for the Design of Novel Performance Chemicals and Materials (eBook, PDF)

Redaktion: Rai, Beena

• Format: PDF

Produktbeschreibung

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

---

Dieser Download kann aus rechtlichen Gründen nur mit Rechnungsadresse in A, B, BG, CY, CZ, D, DK, EW, E, FIN, F, GR, HR, H, IRL, I, LT, L, LR, M, NL, PL, P, R, S, SLO, SK ausgeliefert werden.

Produktdetails

• Verlag: Taylor & Francis eBooks
• Seitenzahl: 398
• Erscheinungstermin: 23. März 2012
• Englisch
• ISBN-13: 9781439840795
• Artikelnr.: 40066118

Autorenporträt

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

Inhaltsangabe

Basic Concepts in Molecular Modeling. Rational Design of Selective
Industrial Performance Chemicals Based on Molecular Modeling Computations.
Molecular Modeling of Mineral Surface Reactions in Flotation. Molecular
Dynamics Simulation Analysis of Solutions and Surfaces in Nonsulfide
Flotation Systems. Application of Molecular Modeling in Pharmaceutical
Crystallization and Formulation. Studies on the Microstructure in
Water-Surfactant Systems Using Atomistic and Mesoscale Simulations.
Molecular Simulation of Wetting Transitions on Novel Materials. Molecular
Modeling of Capillary Condensation in Porous Materials. Solid-Liquid Phase
Transition Under Confinement. Computing Transport in Materials. Simulation
of Crystals with Chemical Disorder at Lattice Sites. Design of Compound
Semiconductor Alloys Using Molecular Simulations. Structural Properties of
Cement Clinker Compound by First- Principles Calculations. First Principles
Modeling of the Atomic and Electronic Properties of Palladium Clusters
Adsorbed on TiO2 Rutile (110) Surface. Index.