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Molecular Heterogeneous Catalysis
An integrated approach to the molecular theory of reaction mechanism in heterogeneous catalysis, largely based on the knowledge among the growing theoretical catalysis community over the past half century, and covering all major catalytic systems. The authors develop a general conceptual framework, including in-depth comparisons with enzyme catalysis, biomineralisation, organometallic and coordination chemistry. A chapter dedicated to molecular electrocatalysis addresses the molecular description of reactions at the liquid-solid interphase, while studies range from a quantum-chemical treatment of individual molecular states to dynamic Monte-Carlo simulations, including the full flexibility of the many-particle systems. Complexity in catalysis is explained in chapters on self-organization and self-assembly of catalysts, and other sections are devoted to evolutionary, combinatorial techniques as well as artificial chemistry.
Applying Molecular and Materials Modeling
Computational molecular and materials modeling has emerged to deliver solid technological impacts in the chemical, pharmaceutical, and materials industries. It is not the all-predictive science fiction that discouraged early adopters in the 1980s. Rather, it is proving a valuable aid to designing and developing new products and processes. People create, not computers, and these tools give them qualitative relations and quantitative properties that they need to make creative decisions. With detailed analysis and examples from around the world, Applying Molecular and Materials Modeling describes the science, applications, and infrastructures that have proven successful. Computational quantum chemistry, molecular simulations, informatics, desktop graphics, and high-performance computing all play important roles. At the same time, the best technology requires the right practitioners, the right organizational structures, and - most of all - a clearly understood blend of imagination and realism that propels technological advances. This book is itself a powerful tool to help scientists, engineers, and managers understand and take advantage of these advances.
Catalysis In Chemistry And Biology - Proceedings Of The 24th International Solvay Conference On Chemistry
The Proceedings of the 24th International Solvay Conference on Chemistry comprise contributed short personal statements and transcripts of in-depth discussions on 'Catalysis in Chemistry and Biology' from a by-invitation-only select group of 48 eminent scientists, including four Nobel Laureates, from all parts of the world. The theme of the conference was presented in six sessions, along which the Proceedings are organized. The first session on 'Homogeneous Catalysis,' chaired by Professor Robert Grubbs, is devoted to basic research on catalysis in homogeneous solutions and applications thereof. 'Heterogeneous Catalysis and Characterization of Catalyst Surfaces,' chaired by Professor Gerhard...
Modern Heterogeneous Catalysis
Written by one of the world's leading experts on the topic, this advanced textbook is the perfect introduction for newcomers to this exciting field. Concise and clear, the text focuses on such key aspects as kinetics, reaction mechanism and surface reactivity, concentrating on the essentials. The author also covers various catalytic systems, catalysis by design, and activation-deactivation. A website with supplementary material offers additional figures, original material and references.
2030
Imagine living in 1958, and knowing that the integrated circuit--the microchip--was about to be invented, and would revolutionize the world. Or imagine 1992, when the Internet was about to transform virtually every aspect of our lives. Incredibly, this book argues that we stand at such a moment right now--and not just in one field, but in many. In 2030, authors Rutger van Santen, Djan Khoe, and Bram Vermeer interview over two dozen scientific and technological experts on themes of health, sustainability and communication, asking them to look forward to the year 2030 and comment on the kind of research that will play a necessary role. If we know what technology will be imperative in 2030, the...
Ferroelectrics
Ferroelectric materials have been and still are widely used in many applications, that have moved from sonar towards breakthrough technologies such as memories or optical devices. This book is a part of a four volume collection (covering material aspects, physical effects, characterization and modeling, and applications) and focuses on the characterization of ferroelectric materials, including structural, electrical and multiphysic aspects, as well as innovative techniques for modeling and predicting the performance of these devices using phenomenological approaches and nonlinear methods. Hence, the aim of this book is to provide an up-to-date review of recent scientific findings and recent advances in the field of ferroelectric system characterization and modeling, allowing a deep understanding of ferroelectricity.
Machine Learning-Based Modelling in Atomic Layer Deposition Processes
While thin film technology has benefited greatly from artificial intelligence (AI) and machine learning (ML) techniques, there is still much to be learned from a full-scale exploration of these technologies in atomic layer deposition (ALD). This book provides in-depth information regarding the application of ML-based modeling techniques in thin film technology as a standalone approach and integrated with the classical simulation and modeling methods. It is the first of its kind to present detailed information regarding approaches in ML-based modeling, optimization, and prediction of the behaviors and characteristics of ALD for improved process quality control and discovery of new materials. ...
Kinetics of Chemical Reactions
This second, extended and updated edition presents the current state of kinetics of chemical reactions, combining basic knowledge with results recently obtained at the frontier of science. Special attention is paid to the problem of the chemical reaction complexity with theoretical and methodological concepts illustrated throughout by numerous examples taken from heterogeneous catalysis combustion and enzyme processes. Of great interest to graduate students in both chemistry and chemical engineering.
The Delft Prototype Laboratory
The Prototype Laboratory initiated and maintained by the Chair of Product Development at the Faculty of Architecture, TU Delft, has set an example in architectural education for hands-on ‘learning-by-making’ for students. According to the authors of this book, in the current curriculums time spent on practical work is not rewarded and students are educated in an abstract concept of architecture, not getting a proper feeling for materialization. A semester of designing, engineering, producing and building a prototype with their own hands after their own design often gives students a boost in their education. The Delft Prototype laboratory was the base of around 1,000 students, now profess...
