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Simulation Methods for Polymers [Kõva köide]

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  • Formaat: Hardback, 622 pages, kõrgus x laius: 245x170 mm, kaal: 929 g
  • Ilmumisaeg: 15-Mar-2004
  • Kirjastus: CRC Press Inc
  • ISBN-10: 0824702476
  • ISBN-13: 9780824702472
Teised raamatud teemal:
Simulation Methods for PolymersSuurem pilt
  • Formaat: Hardback, 622 pages, kõrgus x laius: 245x170 mm, kaal: 929 g
  • Ilmumisaeg: 15-Mar-2004
  • Kirjastus: CRC Press Inc
  • ISBN-10: 0824702476
  • ISBN-13: 9780824702472
Teised raamatud teemal:
Püsilink: https://www.kriso.ee/db/9780824702472.html
Märksõnad:
Kotelyanskii (member, American Chemical Society) and Theodorou (chemical engineering, National Technical University, Greece) offer a sequence of polymer physics background, methods, calculations, and application guidelines in this text/reference for advanced students and research practitioners in academia and industry involved in the modeling and simulation of polymeric materials. After an introduction to basic elements of polymer physics, sections focus on the calculation of single-chain properties in various environments, lattice-based Monte Carlo simulations, molecular dynamics simulations, and the configuration bias method for off-lattice Monte Carlo simulation. Other sections cover simulations of charged polymer systems, methods for the calculation of free energy and chemical potential and for the simulation of phase equilibria, polymer crystals, bulk amorphous polymers, and multiscale modeling. Annotation ©2004 Book News, Inc., Portland, OR (booknews.com)

Synthetic Lubricants and High-Performance Functional Fluids, Second Edition offers state-of-the-art information on all the major synthetic fluids, describing established products as well as highly promising experimental fluids with commercial potential. This second edition contains chapters on polyinternalolefins, polymer esters, refrigeration lubes, polyphenyl ethers, highly refined mineral oils, automotive gear oils and industrial gear oils. The book also assesses automotive, industrial, aerospace, environmental, and commercial trends in Europe, Asia, South America, and the US.

1. Background I: Calculating Single-Chain Properties
2. Rotational Isomeric State (RIS) Calculations, with an Illustrative Application to Head-to-Head, Tail-to-Tail Polypropylene
3. Single Chain in Solution II: Lattice-Chain Monte Carlo Simulations
4. Polymer Models on the Lattice
5. Simulations on the Completely Occupied Lattice III: Molecular Dynamics
6. Molecular Dynamics Simulations of Polymers IV: Off-Lattice Monte Carlo Methods
7. Configurational Bias Techniques for Simulation of Complex Fluids V: Charged Polymer Systems
8. Molecular Simulations of Charged Polymers VI: Calculating Chemical Potential and Free-Energy, Phase Equilibria
9. Gibbs Ensemble and Histogram Reweighting Grand Canonical Monte Carlo Methods
10. Gibbs Ensemble Molecular Dynamics VII: Polymer Crystals
11. Modeling of Polymer Crystals VIII: Atomistic Simulations of Amorphous Polymers
12. Plastic Deformation of Bisphenol-A-Polycarbonate: Applying an Atomistic-Continuum Model
13. Polymer Melt Dynamics
14. Sorption and Diffusion of Small Molecules Using Transition-State Theory IX: Bridging Length- and Time-Scales
15. Coarse-Graining Techniques
16. CONNFFESSIT: Simulating Polymer Flow
17. Simulation of Polymers by Dissipative Particle Dynamics
18. Dynamic Mean-Field DFT Approach for Morphology Development
Kotelyanskii, Michael; Theodorou, Doros N.