Abhijit Chatterjee's Structure Property Correlations for Nanoporous Materials PDF

By Abhijit Chatterjee

ISBN-10: 1138114022

ISBN-13: 9781138114029

ISBN-10: 1420082744

ISBN-13: 9781420082746

Nanoporous fabrics are severe to varied fields of analysis, together with ion alternate, separation, catalysis, sensor purposes, organic molecular isolation, and purification. furthermore, they provide new possibilities in such components as inclusion chemistry, guest-host synthesis, and molecular manipulations and reactions on the nanoscale. In Structure estate Correlations for Nanoporous Materials, pioneering researcher Abhijit Chatterjee courses experimentalists of their layout of nanoporous fabric utilizing machine simulation methodologies.

The ebook starts off with a accomplished assessment of nanoporous fabrics. It describes their functionality, examines their basic homes, together with catalytic results and adsorption, demonstrates their value, explores their purposes in line with theoretical and experimental reviews, and highlights the demanding situations they pose in addition to their destiny prospects.

Explores simulation methodologies

Next, the ebook strikes directly to molecular modeling, putting a heavy specialise in Monte Carlo simulation. It examines density useful conception (DFT) and native reactivity descriptors. It additionally discusses the synthesis of nanoporous fabrics, the structural characterization of fabrics by way of chemical composition, spectroscopic research, mechanical balance, and porosity; and the layout of recent nanoporous fabrics. Dr. Chatterjee explores projected purposes and concludes with a dialogue of the catalytic task of nanoporous fabrics and response mechanisms.

The textual content is supplemented with experiments and simulation directions to explain the theoretical research. Conveying the importance of the combo of conventional experimental paintings and molecular simulation, the ebook allows experimentalists to accomplish greater effects with much less effort.

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