Modelling and Simulation in the Science of Micro- and Meso-Porous Materials

Scientists studying micro- and meso-porous materials now need either to use modelling tools or to understand their role and significance. Modelling and Simulation in the Science of Micro- and Meso-Porous Materials will address these needs as well as providing more general surveys of some of the most significant developments in micro- and meso-porous science. It includes sections on Structure Modelling and Prediction, Synthesis, Nucleation and Growth, Sorption and Separation processes, Reactivity and Catalysis, and Fundamental Developments in Methodology to give a complete overview of the techniques currently utilized in this rapidly advancing field. The book thoroughly addresses the major challenges in the field of microporous materials, including the crystallization mechanism of porous materials and rational synthesis of porous materials with controllable porous structures and compositions. New applications in emerging areas are also covered, including biomass conversion, C1 chemistry, and CO2 capture. Authored and edited by the experts in the field of micro- and meso-porous materialsIncludes introductory material and background both to the science of microporous materials and to the techniques employed in contemporary modelling studiesRigorous enough for scientists conducting related research while also accessible to graduate students in chemistry, chemical engineering, and materials science