Metal-Organic Frameworks (eBook, PDF)

Materials Modeling towards Engineering Applications
Redaktion: Jiang, Jianwen

• Format: PDF

Produktbeschreibung

Metal-organic frameworks (MOFs) have emerged as a new family of nanoporous materials. With an enormous choice of inorganic/organic building blocks, MOFs possess a wide range of surface area, pore size, and functionality and, thus, have been considered versatile materials for many potential applications. This book presents a broad collection of recent modeling studies in the field of MOFs toward potential engineering applications, such as gas storage/separation, carbon capture, catalysis, water purification, and drug delivery. The subject of this book renders it unique, for while the various topics on MOFs boast vast literature, there is not yet a single coherent collection for modeling endeavors. The book will appeal to scientists, engineers, and students in the multidisciplinary intersections of materials science, chemistry, and engineering.

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Produktdetails

• Verlag: Pan Stanford
• Seitenzahl: 578
• Erscheinungstermin: 28. Januar 2015
• Englisch
• ISBN-13: 9789814613460
• Artikelnr.: 42564737

Autorenporträt

Jianwen Jiang is an associate professor in the Department of Chemical and Biomolecular Engineering at the National University of Singapore. His research expertise is computational materials modeling and statistical thermodynamics, currently focused on nanoporous and membrane materials for energy, environmental, and pharmaceutical applications. He has published over 160 technical manuscripts, as well as a number of invited reviews and book chapters. He is on the editorial boards of Scientific Reports, Frontier in Materials, Advances in Materials Research, and Colloid and Interface Science Communications, among others. In 2010, he received the IES Prestigious Engineering Achievement Award from the Institution of Engineers, Singapore.

Inhaltsangabe

Computational Approaches to the Design, Crystal Structure Prediction, and
Structure-Property Relationships of Metal-Organic Frameworks. On the
Application of Classical Molecular Simulations of Adsorption in
Metal-Organic Frameworks. Modeling the Adsorption of Small Molecules at
Coordinatively Unsaturated Metal Sites: Density-Functional Theory and
Molecular Mechanics Approaches. Accurate ab initio Description of
Adsorption on Coordinatively Unsaturated Sites in Metal-Organic Frameworks.
Modeling Sorbate Equilibria and Transport in Porous Coordination Polymers.
Modeling Quantum Effects on Adsorption and Diffusion of Hydrogen in
Metal-Organic Frameworks. Molecular Modeling of Gas Separation in
Metal-Organic Frameworks. Molecular Modeling of Metal-Organic Frameworks
for Carbon Dioxide Separation. Modeling of Zeolitic-like Hybrid Materials
for Gas Separation. Modeling Adsorptive Separations using Metal-Organic
Frameworks. Computer Simulations of Ionic Metal-Organic Frameworks.
Computational Modeling of Catalysis in Metal-Organic Frameworks. Modeled
Catalytic Properties of Metal-Organic Frameworks-Based Compounds.