Monte Carlo Simulation and Statistical Mechanics Modelling of Mixture Adsorption in Silicalite

Monte Carlo Simulation and Statistical Mechanics Modelling of Mixture Adsorption in Silicalite PDF Author: Seyed Ebrahim Jalili
Publisher:
ISBN:
Category :
Languages : en
Pages : 372

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Monte Carlo Simulation and Statistical Mechanics Modelling of Mixture Adsorption in Silicalite

Monte Carlo Simulation and Statistical Mechanics Modelling of Mixture Adsorption in Silicalite PDF Author: Seyed Ebrahim Jalili
Publisher:
ISBN:
Category :
Languages : en
Pages : 372

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Book Description


Monte Carlo Simulation and Statistical Mechanics Modelling of Mixture Adsorption in Silicalite

Monte Carlo Simulation and Statistical Mechanics Modelling of Mixture Adsorption in Silicalite PDF Author:
Publisher:
ISBN:
Category :
Languages : en
Pages : 372

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Book Description


Adsorption and Phase Behaviour in Nanochannels and Nanotubes

Adsorption and Phase Behaviour in Nanochannels and Nanotubes PDF Author: Lawrence J. Dunne
Publisher: Springer Science & Business Media
ISBN: 9048124816
Category : Technology & Engineering
Languages : en
Pages : 301

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Book Description
Channels of nanotubular dimensions exist in a variety of materials (examples are carbon nanotubes and the nanotubular channels of zeolites and zeotypes) and show promise for numerous applications due to their unique properties. One of their most important properties is their capacity to adsorb molecules and these may exist in a variety of phases. "Adsorption and Phase Behaviour in Nanochannels and Nanotubes" provides an excellent review of recent and current work on adsorption on nanometerials. It is an impressive collection of papers dealing with the adsorption and phase behaviour in nanoporous materials from both experimental and theoretical perspectives. "Adsorption and Phase Behaviour in Nanochannels and Nanotubes" focuses on carbon nanotubes as well as zeolites and related materials.

The Monte Carlo Method in Condensed Matter Physics

The Monte Carlo Method in Condensed Matter Physics PDF Author: Kurt Binder
Publisher: Springer Science & Business Media
ISBN: 3662028557
Category : Science
Languages : en
Pages : 406

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Book Description
The Monte Carlo method is now widely used and commonly accepted as an important and useful tool in solid state physics and related fields. It is broadly recognized that the technique of "computer simulation" is complementary to both analytical theory and experiment, and can significantly contribute to ad vancing the understanding of various scientific problems. Widespread applications of the Monte Carlo method to various fields of the statistical mechanics of condensed matter physics have already been reviewed in two previously published books, namely Monte Carlo Methods in Statistical Physics (Topics Curro Phys. , Vol. 7, 1st edn. 1979, 2ndedn. 1986) and Applications of the Monte Carlo Method in Statistical Physics (Topics Curro Phys. , Vol. 36, 1st edn. 1984, 2nd edn. 1987). Meanwhile the field has continued its rapid growth and expansion, and applications to new fields have appeared that were not treated at all in the above two books (e. g. studies of irreversible growth phenomena, cellular automata, interfaces, and quantum problems on lattices). Also, new methodic aspects have emerged, such as aspects of efficient use of vector com puters or parallel computers, more efficient analysis of simulated systems con figurations, and methods to reduce critical slowing down at i>hase transitions. Taken together with the extensive activity in certain traditional areas of research (simulation of classical and quantum fluids, of macromolecular materials, of spin glasses and quadrupolar glasses, etc.

Computer Simulation and the Statistical Mechanics of Adsorption

Computer Simulation and the Statistical Mechanics of Adsorption PDF Author: David Nicholson
Publisher:
ISBN:
Category : Computers
Languages : en
Pages : 424

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A Guide to Monte Carlo Simulations in Statistical Physics

A Guide to Monte Carlo Simulations in Statistical Physics PDF Author: David P. Landau
Publisher: Cambridge University Press
ISBN: 9780521653664
Category : Mathematics
Languages : en
Pages : 402

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Book Description
This book describes all aspects of Monte Carlo simulation of complex physical systems encountered in condensed-matter physics and statistical mechanics, as well as in related fields, such as polymer science and lattice gauge theory. The authors give a succinct overview of simple sampling methods and develop the importance sampling method. In addition they introduce quantum Monte Carlo methods, aspects of simulations of growth phenomena and other systems far from equilibrium, and the Monte Carlo Renormalization Group approach to critical phenomena. The book includes many applications, examples, and current references, and exercises to help the reader.

Monte Carlo Methods in Statistical Physics

Monte Carlo Methods in Statistical Physics PDF Author: Kurt Binder
Publisher: Springer Science & Business Media
ISBN: 3642828035
Category : Science
Languages : en
Pages : 425

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Book Description
In the seven years since this volume first appeared. there has been an enormous expansion of the range of problems to which Monte Carlo computer simulation methods have been applied. This fact has already led to the addition of a companion volume ("Applications of the Monte Carlo Method in Statistical Physics", Topics in Current Physics. Vol . 36), edited in 1984, to this book. But the field continues to develop further; rapid progress is being made with respect to the implementation of Monte Carlo algorithms, the construction of special-purpose computers dedicated to exe cute Monte Carlo programs, and new methods to analyze the "data" generated by these programs. Brief descriptions of these and other developments, together with numerous addi tional references, are included in a new chapter , "Recent Trends in Monte Carlo Simulations" , which has been written for this second edition. Typographical correc tions have been made and fuller references given where appropriate, but otherwise the layout and contents of the other chapters are left unchanged. Thus this book, together with its companion volume mentioned above, gives a fairly complete and up to-date review of the field. It is hoped that the reduced price of this paperback edition will make it accessible to a wide range of scientists and students in the fields to which it is relevant: theoretical phYSics and physical chemistry , con densed-matter physics and materials science, computational physics and applied mathematics, etc.

Nanoporous Materials: Science And Engineering

Nanoporous Materials: Science And Engineering PDF Author: G Q Max Lu
Publisher: World Scientific
ISBN: 178326179X
Category : Technology & Engineering
Languages : en
Pages : 911

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Book Description
Porous materials are of scientific and technological importance because of the presence of voids of controllable dimensions at the atomic, molecular, and nanometer scales, enabling them to discriminate and interact with molecules and clusters. Interestingly the big deal about this class of materials is about the “nothingness” within — the pore space. International Union of Pure and Applied Chemistry (IUPAC) classifies porous materials into three categories — micropores of less than 2 nm in diameter, mesopores between 2 and 50 nm, and macropores of greater than 50 nm. In this book, nanoporous materials are defined as those porous materials with pore diameters less than 100 nm.Over the last decade, there has been an ever increasing interest and research effort in the synthesis, characterization, functionalization, molecular modeling and design of nanoporous materials. The main challenges in research include the fundamental understanding of structure-property relations and tailor-design of nanostructures for specific properties and applications. Research efforts in this field have been driven by the rapid growing emerging applications such as biosensor, drug delivery, gas separation, energy storage and fuel cell technology, nanocatalysis and photonics. These applications offer exciting new opportunities for scientists to develop new strategies and techniques for the synthesis and applications of these materials.This book provides a series of systematic reviews of the recent developments in nanoporous materials. It covers the following topics: (1) synthesis, processing, characterization and property evaluation; (2) functionalization by physical and/or chemical treatments; (3) experimental and computational studies on fundamental properties, such as catalytic effects, transport and adsorption, molecular sieving and biosorption; (4) applications, including photonic devices, catalysis, environmental pollution control, biological molecules separation and isolation, sensors, membranes, hydrogen and energy storage, etc./a

Monte Carlo Methods in Chemical Physics

Monte Carlo Methods in Chemical Physics PDF Author: David M. Ferguson
Publisher: Wiley-Interscience
ISBN:
Category : Mathematics
Languages : en
Pages : 584

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Book Description
In Monte Carlo Methods in Chemical Physics: An Introduction to the Monte Carlo Method for Particle Simulations J. Ilja Siepmann Random Number Generators for Parallel Applications Ashok Srinivasan, David M. Ceperley and Michael Mascagni Between Classical and Quantum Monte Carlo Methods: "Variational" QMC Dario Bressanini and Peter J. Reynolds Monte Carlo Eigenvalue Methods in Quantum Mechanics and Statistical Mechanics M. P. Nightingale and C.J. Umrigar Adaptive Path-Integral Monte Carlo Methods for Accurate Computation of Molecular Thermodynamic Properties Robert Q. Topper Monte Carlo Sampling for Classical Trajectory Simulations Gilles H. Peslherbe Haobin Wang and William L. Hase Monte Carlo Approaches to the Protein Folding Problem Jeffrey Skolnick and Andrzej Kolinski Entropy Sampling Monte Carlo for Polypeptides and Proteins Harold A. Scheraga and Minh-Hong Hao Macrostate Dissection of Thermodynamic Monte Carlo Integrals Bruce W. Church, Alex Ulitsky, and David Shalloway Simulated Annealing-Optimal Histogram Methods David M. Ferguson and David G. Garrett Monte Carlo Methods for Polymeric Systems Juan J. de Pablo and Fernando A. Escobedo Thermodynamic-Scaling Methods in Monte Carlo and Their Application to Phase Equilibria John Valleau Semigrand Canonical Monte Carlo Simulation: Integration Along Coexistence Lines David A. Kofke Monte Carlo Methods for Simulating Phase Equilibria of Complex Fluids J. Ilja Siepmann Reactive Canonical Monte Carlo J. Karl Johnson New Monte Carlo Algorithms for Classical Spin Systems G. T. Barkema and M.E.J. Newman

Graphene Simulation

Graphene Simulation PDF Author: Jian Ru Gong
Publisher: BoD – Books on Demand
ISBN: 9533075562
Category : Science
Languages : en
Pages : 390

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Book Description
Graphene, a conceptually new class of materials in condensed-matter physics, has been the interest of many theoretical studies due to the extraordinary thermal, mechanical and electrical properties for a long time. This book is a collection of the recent theoretical work on graphene from many experts, and will help readers to have a thorough and deep understanding in this fast developing field.