Berend Smit

Jeffrey A. Reimer

Curtis M. Oldenburg

Ian C. Bourg

The aim and purpose of the book is to provide an understanding of the current science underpinning Carbon Capture and Sequestration (CCS) and to provide students and interested researchers with sufficient background on the basics of Chemical Engineering, Material Science, and Geology that they can understand the current state of the art of the research in the field of CCS. In addition, the book provides a comprehensive discussion of the impact on CCS on the energy landscape, society, and climate as these topics govern the success of the science being done in this field. The book is aimed at undergraduate students, graduate students, scientists, and professionals who would like to gain a broad multidisciplinary view of the research that is being carried out to solve one of biggest challenges of our generation.

Introduction to Carbon Capture and Sequestration

Jeffrey A Reimer

Curtis M Oldenburg

Ian C Bourg

The aim of the book is to provide an understanding of the current science underpinning Carbon Capture and Sequestration (CCS) and to provide students and interested researchers with sufficient background on the basics of Chemical Engineering, Material Science, and Geology that they can understand the current state of the art of the research in the field of CCS. In addition, the book provides a comprehensive discussion of the impact of CCS on the energy landscape, society, and climate as these topics govern the success of the science being done in this field. The book is aimed at undergraduate students, graduate students, scientists, and professionals who would like to gain a broad multidisciplinary view of the research that is being carried out to solve one of greatest challenges of our generation. Contents:Energy and ElectricityThe Atmosphere and Climate ModelingThe Carbon CycleIntroduction to Carbon CaptureAbsorptionAdsorptionMembranesIntroduction to Geological SequestrationFluids and RocksLarge-Scale Geological Carbon SequestrationLand Use and Geo-EngineeringList of SymbolsCredits Readership: Students taking courses on environmental sciences and research level individuals who are interested in environmental issues related to CCS. Key Features:The first comprehensive textbook on Carbon Capture and Sequestration (CCS)A comprehensive discussion on the science of CCS and its impact on society and climateA multidisciplinary approach to CCS by the leading US research centers on CCSKeywords:Carbon Capture;Carbon Storage;Carbon Sequestration;Gas Separations

C.Richard A. Catlow

R.A. van Santen

Microporous materials, including both zeolites and aluminophosphates are amongst the most fascinating classes of materials, with wide ranging important applications in catalysis, gas separation and ion exchange. The breadth of the field has, moreover, been extended in the last ten years by the discovery of the versatile and exciting ranges of mesoporous materials. Computational methods have a long and successful history of application in solid state and materials science, where they are indeed established tools in modelling structural and dynamic properties of the bulk and surfaces of solids; and where they are playing an increasingly important role in understanding reactivity. Their application to zeolite science developed strongly in the 1980's, with the initial successes in modelling structure and sorption, and with emerging capability in quantum mechanical methods. The field was reviewed over ten years, since then there have been major developments in techniques and of course the power of the available hardware, which have promoted a whole range of new applications to real complex problems in the science of microporous materials. Computer Modelling of Microporous Materials aims to summarise and illustrate the current capabilities of atomistic computer modelling methods in this growing field. Details advances in the rapidly expanding field of microporous materials Summarises key current techniques in this type of modelling Illustrates the current capabilities of atomistic computer modelling methods

Computer Modelling of Microporous Materials

Daan Frenkel

Understanding Molecular Simulation: From Algorithms to Applications explains the physics behind the "recipes" of molecular simulation for materials science. Computer simulators are continuously confronted with questions concerning the choice of a particular technique for a given application. A wide variety of tools exist, so the choice of technique requires a good understanding of the basic principles. More importantly, such understanding may greatly improve the efficiency of a simulation program. The implementation of simulation methods is illustrated in pseudocodes and their practical use in the case studies used in the text. Since the first edition only five years ago, the simulation world has changed significantly -- current techniques have matured and new ones have appeared. This new edition deals with these new developments; in particular, there are sections on: · Transition path sampling and diffusive barrier crossing to simulaterare events · Dissipative particle dynamic as a course-grained simulation technique · Novel schemes to compute the long-ranged forces · Hamiltonian and non-Hamiltonian dynamics in the context constant-temperature and constant-pressure molecular dynamics simulations · Multiple-time step algorithms as an alternative for constraints · Defects in solids · The pruned-enriched Rosenbluth sampling, recoil-growth, and concerted rotations for complex molecules · Parallel tempering for glassy Hamiltonians Examples are included that highlight current applications and the codes of case studies are available on the World Wide Web. Several new examples have been added since the first edition to illustrate recent applications. Questions are included in this new edition. No prior knowledge of computer simulation is assumed.

Berend Smit

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