Chemical Complexity via Simple Models


Book Description

This book is focused on mathematical modelling of chemical kinetics. The authors present the classification of basic models of chemical kinetics, thermokinetics and macrokinetics, as well as their application for the most important chemical transformations, such as combustion and catalysis. Readers will find a detailed description and analysis of different mathematical instruments which can be applied for simulation of reaction dynamics.




Engineering of Chemical Complexity


Book Description

This review volume, co-edited by Nobel laureate G Ertl, provides a broad overview on current studies in the understanding of design and control of complex chemical systems of various origins, on scales ranging from single molecules and nano-phenomena to macroscopic chemical reactors. Self-organizational behavior and the emergence of coherent collective dynamics in reaction diffusion systems, reactive soft matter and chemical networks are covered. Special attention is paid to the applications in molecular cell biology and to the problems of biological evolution, synthetic biology and design of artificial living cells. Starting with a detailed introduction on the history of research on complex chemical systems, its current state of the art and perspectives, the book comprises 19 chapters that survey the current progress in particular research fields. The reviews, prepared by leading international experts, yield together a fascinating picture of a rapidly developing research discipline that brings chemical engineering to new frontiers.




Ionic Surfactants and Aqueous Solutions


Book Description

Ionic Surfactants and Aqueous Solutions: Biomolecules, Metals and Nanoparticles covers a wide range of subjects related to aqueous systems, from reverse micelles as ion exchangers to the study of micellar phase transfer catalysis for nucleophilic substitution reactions. The diverse background, expertise and professional interests of the contributors to this book give to it a unique richness of approach in topics of relevance for biotechnology and environmental studies. Over sixty publications presenting research results are combined and expanded in this book by some of the original researchers. At a mature age, and at the summit of successful professional careers, they have taken a second look to the state of the art in the fields that they had pioneered. Eva Rodil and Ana Soto, who had their research formation in the group of Professor Alberto Arce at Universidade de Santiago de Compostela, Spain, are presently professors at that university, Maen Husein is a professor at University of Calgary, Canada. Remy Dumortier, Mohammad Khoshkbarchi, Hamid Rabie and Younok Dumortier Shin, are presently active leaders in the industrial world in Canada and the USA. The editors are retired academics from McGill University, Montreal, Canada, and coauthors of the book Classical Thermodynamics of Fluid Systems.




Natural Complexity


Book Description

This book provides a short, hands-on introduction to the science of complexity using simple computational models of natural complex systems—with models and exercises drawn from physics, chemistry, geology, and biology. By working through the models and engaging in additional computational explorations suggested at the end of each chapter, readers very quickly develop an understanding of how complex structures and behaviors can emerge in natural phenomena as diverse as avalanches, forest fires, earthquakes, chemical reactions, animal flocks, and epidemic diseases. Natural Complexity provides the necessary topical background, complete source codes in Python, and detailed explanations for all computational models. Ideal for undergraduates, beginning graduate students, and researchers in the physical and natural sciences, this unique handbook requires no advanced mathematical knowledge or programming skills and is suitable for self-learners with a working knowledge of precalculus and high-school physics. Self-contained and accessible, Natural Complexity enables readers to identify and quantify common underlying structural and dynamical patterns shared by the various systems and phenomena it examines, so that they can form their own answers to the questions of what natural complexity is and how it arises.




Engineering Of Chemical Complexity


Book Description

This review volume, co-edited by Nobel laureate G Ertl, provides a broad overview on current studies in the understanding of design and control of complex chemical systems of various origins, on scales ranging from single molecules and nano-phenomena to macroscopic chemical reactors. Self-organizational behavior and the emergence of coherent collective dynamics in reaction-diffusion systems, reactive soft matter and chemical networks are covered. Special attention is paid to the applications in molecular cell biology and to the problems of biological evolution, synthetic biology and design of artificial living cells. Starting with a detailed introduction on the history of research on complex chemical systems, its current state of the art and perspectives, the book comprises 19 chapters that survey the current progress in particular research fields. The reviews, prepared by leading international experts, yield together a fascinating picture of a rapidly developing research discipline that brings chemical engineering to new frontiers.




Neural Models of Plasticity


Book Description

Neural Models of Plasticity: Experimental and Theoretical Approaches is an outgrowth of a conference that was held at Woods Hole, Massachusetts, in the spring of 1987. The purpose of that conference was to review recent developments in both areas and to foster communication between those researchers pursuing theoretical approaches and those pursuing more empirical approaches. Contributions have been solicited from individuals who represent both ends of the spectrum of approaches as well as those using a combination of the two. These indicate that our knowledge of the plastic capabilities of the nervous system is accelerating rapidly due to rapid advances in the understanding of basic subcellular and molecular mechanisms of plasticity, and because of the computational capabilities and plastic properties that emerge from neural networks and assemblies. The book contains 19 chapters and opens with a study on the role of the neuromodulator in associative learning of the marine mollusk Hermissend. Subsequent chapters examine topics such as learning and memory in Aplysia; the Hebb rule for synaptic plasticity; olfactory processing and associative memory in the mollusk Limax maximus; simulation of a classically conditioned response; and the neural substrates of memory, focusing on the role of the hippocampus.




OECD Guidelines for the Testing of Chemicals / OECD Series on Testing and Assessment Guidance Document on the Use of Multimedia Models for Estimating Overall Environmental Persistance and Long-Range Transport


Book Description

This Guidance Document concerns using multimedia models, i.e. generic evaluative models that can calculate overall environmental persistence (Pov) and potential for long-range transport (LTRP) covering multiple compartments such as air, water, sediment and soil.




Atmospheric and Aerosol Chemistry


Book Description

Christian George, Barbara D’Anna, Hartmut Herrmann, Christian Weller, Veronica Vaida, D. J. Donaldson, Thorsten Bartels-Rausch, Markus Ammann - Emerging Areas in Atmospheric Photochemistry. Lisa Whalley, Daniel Stone, Dwayne Heard - New Insights into the Tropospheric Oxidation of Isoprene: Combining Field Measurements, Laboratory Studies, Chemical Modelling and Quantum Theory. Neil M. Donahue, Allen L. Robinson, Erica R. Trump, Ilona Riipinen, Jesse H. Kroll - Volatility and Aging of Atmospheric Organic Aerosol. P. A. Ariya, G. Kos, R. Mortazavi, E. D. Hudson, V. Kanthasamy, N. Eltouny, J. Sun, C. Wilde - Bio-Organic Materials in the Atmosphere and Snow: Measurement and Characterization. V. Faye McNeill, Neha Sareen, Allison N. Schwier - Surface-Active Organics in Atmospheric Aerosols.




Beyond the Molecular Frontier


Book Description

Chemistry and chemical engineering have changed significantly in the last decade. They have broadened their scopeâ€"into biology, nanotechnology, materials science, computation, and advanced methods of process systems engineering and controlâ€"so much that the programs in most chemistry and chemical engineering departments now barely resemble the classical notion of chemistry. Beyond the Molecular Frontier brings together research, discovery, and invention across the entire spectrum of the chemical sciencesâ€"from fundamental, molecular-level chemistry to large-scale chemical processing technology. This reflects the way the field has evolved, the synergy at universities between research and education in chemistry and chemical engineering, and the way chemists and chemical engineers work together in industry. The astonishing developments in science and engineering during the 20th century have made it possible to dream of new goals that might previously have been considered unthinkable. This book identifies the key opportunities and challenges for the chemical sciences, from basic research to societal needs and from terrorism defense to environmental protection, and it looks at the ways in which chemists and chemical engineers can work together to contribute to an improved future.




Mathematical Challenges from Theoretical/Computational Chemistry


Book Description

Computational methods are rapidly becoming major tools of theoretical, pharmaceutical, materials, and biological chemists. Accordingly, the mathematical models and numerical analysis that underlie these methods have an increasingly important and direct role to play in the progress of many areas of chemistry. This book explores the research interface between computational chemistry and the mathematical sciences. In language that is aimed at non-specialists, it documents some prominent examples of past successful cross-fertilizations between the fields and explores the mathematical research opportunities in a broad cross-section of chemical research frontiers. It also discusses cultural differences between the two fields and makes recommendations for overcoming those differences and generally promoting this interdisciplinary work.