Molecular Dynamics Simulation of Nanocomposites using BIOVIA Materials Studio, Lammps and Gromacs presents the three major software packages used for the molecular dynamics simulation of nanocomposites. The book explains, in detail, how to use each of these packages, also providing real-world exampl
Characterization of Porous Materials Using Molecular Theory and Simulation
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π SIMILAR VOLUMES
Two key words define the scope of this book: 'ultrasound' and 'colloids'. Historically, there has been little real communication between practitioners in these two fields. Although there is a large body of literature devoted to ultrasound phenomenon in colloids, there is little recognition that such
Open-porous functional materials play a crucial role in the field of chemical engineering, e.g. as catalysts and membranes. In many cases their performance characteristics are strongly determined by the open-porous morphology, which is specifically adjusted during the manufacturing step. Currently,
Computer Simulation of Porous Materials covers the key approaches in the modelling of porous materials, with a focus on how these can be used for structure prediction and to either rationalise or predict a range of properties including sorption, diffusion, mechanical, spectroscopic and catalytic. Th
Providing the reader with a solid understanding of the fundamentals as well as an awareness of recent advances in properties and applications of cellular and porous materials, this handbook and ready reference covers all important analytical and numerical methods for characterizing and predicting th
Computer Simulation of Porous Materials covers the key approaches in the modelling of porous materials, with a focus on how these can be used for structure prediction and to either rationalise or predict a range of properties including sorption, diffusion, mechanical, spectroscopic and catalytic. Th