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Informationen zum Autor Nick Quirke Klappentext In physical chemistry research! molecular simulation has a unique role as an intermediary between theory and experiment. Adsorption and Transport at the Nanoscale presents an overview of the progress made in the application of computer simulation to adsorption! particularly to the study of adsorption in pores. It includes the topics of modeling gas adsorption in slit pores using Monte Carlo simulation! computer simulation of isothermal mass transport in graphite slit pores! adsorption and transport at the nanoscale! synthesis and characterization of templated mesoporous material using molecular simulation! and more. This volume is a valuable resource for graduate students and researchers in chemistry and physics. Zusammenfassung Nanoporous materials are used widely in industry as adsorbents. This book gives a survey of computational methods and their applications in this burgeoning field. It explains the central role of molecular simulation in characterizing and designing novel materials and devices. Inhaltsverzeichnis 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.
