Adsorption and Transport at the Nanoscale

Nick Quirke Imperial College London
Adsorption and Transport at the Nanoscale
Publication Type List Price
Reference $124.95 / £79.99
Publication Date Imprint
12/15/2005 CRC
Disciplines ISBN
Nanofluidics 9780415327015
Number of Pages Buy with discount
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Nanoporous materials are used widely in industry as adsorbents, particularly for applications where selective adsorption of one fluid component from a mixture is important. Nanoscale structures are of increasing interest for micro- and nanofluidic devices. Computational methods have an important role to play in characterizing, understanding, and designing such materials. Adsorption and Transport at the Nanoscale gives a survey of computational methods and their applications in this burgeoning field.

Beginning with an overview of adsorption and transport phenomena at the nanoscale, this book details several important simulation techniques for characterization and modeling of nanomaterials and surfaces. Expert contributors from Europe, Asia, and the US discuss topics including Monte Carlo simulation for modeling gas adsorption; experimental and simulation studies of aniline in activated carbon fibers; molecular simulation of templated mesoporous materials and adsorption of guest molecules in zeolitic materials; as well as computer simulation of isothermal mass transport in graphitic slit pores. These studies elucidate the chemical and physical phenomena while demonstrating how to perform the simulation techniques, illustrating their advantages, drawbacks, and limitations.

A survey of recent progress in numerical simulation of nanomaterials, Adsorption and Transport at the Nanoscale explains the central role of molecular simulation in characterizing and designing novel materials and devices.

Table of Contents

Adsorption and Transport at the Nanoscale. Modelling Gas Adsorption in Slit-Pores using Monte Carlo Simulation. Effect of Confinement on Melting in Slit-Shaped Pores: Experimental and Simulation Study of Aniline in Activated Carbon Fibers. Synthesis and Characterization of Templated Mesoporous Materials using Molecular Simulation. Adsorption/Condensation of Xenon in Mesopores Having a Microporous Texture or a Surface Roughness. Molecular Simulation of Adsorption of Guest Molecules in Zeolitic Materials: A Comparative Study of Intermolecular Potentials. Molecular Dynamics Simulations for 1:1 Solvent Primitive Model Electrolyte Solutions. Computer Simulation of Isothermal Mass Transport in Graphite Slit Pores. Simulation Study of Sorption of CO2 and N2 with Application to the Characterization of Carbon Adsorbents. Index.


Contributor Boutin, A., University of Paris-Sud, Orsay, France Contributor Nicholson, D., Imperial College, London, UK Contributor Pellenq, Roland J.M., CNRS, Marseille, France Contributor Samios, Stavros, University of Western Macedonia, Kozani, Greece Contributor Siperstein, F.R., Universitat Rovira i Virgili, Tarragona, Spain Contributor Sliwinska-Bartkowiak, M., Adam Mickiewicz University, Poznan, Poland Contributor Suh, S.-H., Keimyung University, Taegu, Korea Contributor Sweatman, M.B., University of Strathclyde, Scotland, UK Contributor Travis, K.P., Univeristy of Sheffield, UK Contributor Buttefey, S., University of Paris-Sud, Orsay, France Contributor Cheetham, A.K., University of California, Santa Barbara, USA Contributor Coasne, Benoit, University de Montpellier, France Contributor Fuchs, A.H., University of Paris-Sud, Orsay, France Contributor Gubbins, K.E., North Carolina State University, Raleigh, USA Contributor Ha, K.-R., Keimyung University, Taegu, Korea Contributor Kim, S.-C., Andong National University, Korea Contributor Levitz, Pierre E., CNRS-Ecole Polytechnique, Palaiseau, France Contributor MacElroy, J.M.D., University College Dublin, Ireland Contributor Papadopoulos, George K., National Technical University of Athens, Greece Contributor Park, J.W., Keimyung University, Taegu, Korea Contributor Radhakrishnan, R., University of Pennsylvania, Philadelphia, USA Contributor Steriotis, Theodore A., Institute of Physical Chemistry, Greece Contributor Stubos, Athanassios K., NCSR Demokritos, Greece Editor 1 Quirke, Nick, Imperial College, London, UK
by siebo last modified September 18, 2009 - 12:20
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  • - Provides a timely overview of key computational methods and applications underpinning progress in the field
  • - Discusses modeling and simulation of adsorption and transport phenomena in a variety of materials
  • - Explores capabilities, drawbacks, and limitations of selected computational methods