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Foundations of Molecular Modeling and Simulation
This book is a collection of select proceedings of the FOMMS 2015 conference. FOMMS 2015 was the sixth triennial FOMMS conference showcasing applications of theory of computational quantum chemistry, molecular science, and engineering simulation. The theme of the 2015 meeting was on Molecular Modeling and the Materials Genome. This volume comprises chapters on many distinct applications of molecular modeling techniques. The content will be useful to researchers and students alike.
Multiscale Modelling of Polymer Properties
Modelling in polymer materials science has experienced a dramatic growth in the last two decades. Advances in modeling methodologies together with rapid growth in computational power have made it possible to address increasingly complex questions both of a fundamental and of a more applied nature.Multiscale Modelling of Polymer Properties assembles research done on modeling of polymeric materials from a hierarchical point of view, in which several methods are combined in a multilevel approach to complex polymeric materials. Contributions from academic and industrial experts are organized in two parts: the first one addresses the methodological aspects while the second one focuses on specific applications. The book aims at comprehensively assessing the current state of the field, including the strengths and shortcomings of available modelling techniques, and at identifying future needs and trends.* Several levels of approximation to the field of polymer modelling; ranging from first-principles to purely macroscopic * Contributions from both academic and industrial experts with varying fields of expertise* Assesses current state of this emerging and rapidly growing field
Process Systems and Materials for CO2 Capture
This comprehensive volume brings together an extensive collection of systematic computer-aided tools and methods developed in recent years for CO2 capture applications, and presents a structured and organized account of works from internationally acknowledged scientists and engineers, through: Modeling of materials and processes based on chemical and physical principles Design of materials and processes based on systematic optimization methods Utilization of advanced control and integration methods in process and plant-wide operations The tools and methods described are illustrated through case studies on materials such as solvents, adsorbents, and membranes, and on processes such as absorpt...
21st European Symposium on Computer Aided Process Engineering
The European Symposium on Computer Aided Process Engineering (ESCAPE) series presents the latest innovations and achievements of leading professionals from the industrial and academic communities. The ESCAPE series serves as a forum for engineers, scientists, researchers, managers and students to present and discuss progress being made in the area of computer aided process engineering (CAPE). European industries large and small are bringing innovations into our lives, whether in the form of new technologies to address environmental problems, new products to make our homes more comfortable and energy efficient or new therapies to improve the health and well being of European citizens. Moreover, the European Industry needs to undertake research and technological initiatives in response to humanity's "Grand Challenges," described in the declaration of Lund, namely, Global Warming, Tightening Supplies of Energy, Water and Food, Ageing Societies, Public Health, Pandemics and Security. Thus, the Technical Theme of ESCAPE 21 will be "Process Systems Approaches for Addressing Grand Challenges in Energy, Environment, Health, Bioprocessing & Nanotechnologies."
Molecular Systems Engineering
Inspired by the leading authority in the field, the Centre for Process Systems Engineering at Imperial College London, this book includes theoretical developments, algorithms, methodologies and tools in process systems engineering and applications from the chemical, energy, molecular, biomedical and other areas. It spans a whole range of length scales seen in manufacturing industries, from molecular and nanoscale phenomena to enterprise-wide optimization and control. As such, this will appeal to a broad readership, since the topic applies not only to all technical processes but also due to the interdisciplinary expertise required to solve the challenge. The ultimate reference for years to come.
Green Chemical Engineering, Volume 12
Green chemistry and chemical engineering belong together and this twelth volume in the successful Handbook of Green Chemistry series represents the perfect one-stop reference on the topic. Written by an international team of specialists with each section edited by international leading experts, this book provides first-hand insights into the field, covering chemical engineering process design, innovations in unit operations and manufacturing, biorefining and much more besides. An indispensable source for every chemical engineer in industry and academia.
Engineering and Ecosystems
This book demonstrates how the inclusion of nature in engineering decisions results in innovative solutions that are economically feasible, ecologically viable, and socially desirable. It advances progress toward nature-positive decisions by protection and restoration of ecosystems and respect for ecological boundaries. The topic of this book is an active area of academic research, and leading companies are including goals associated with ecosystem services in their sustainability plans. This book is the first collection of methods and applications that explicitly include the role of nature in supporting engineering activities and describes the role that ecosystems play in supporting technology and industry. It describes approaches, models, applications, and challenges for innovation and sustainability that will be useful to students and practitioners.
18th European Symposium on Computer Aided Process Engineering
The 18th European Symposium on Computer Aided Process Engineering contains papers presented at the 18th European Symposium of Computer Aided Process Engineering (ESCAPE 18) held in Lyon, France, from 1-4 June 2008.The ESCAPE series brings the latest innovations and achievements by leading professionals from the industrial and academic communities. The series serves as a forum for engineers, scientists, researchers, managers and students from academia and industry to:- present new computer aided methods, algorithms, techniques related to process and product engineering,- discuss innovative concepts, new challenges, needs and trends in the area of CAPE.This research area bridges fundamental sc...
22nd European Symposium on Computer Aided Process Engineering
Computer aided process engineering (CAPE) plays a key design and operations role in the process industries. This conference features presentations by CAPE specialists and addresses strategic planning, supply chain issues and the increasingly important area of sustainability audits. Experts collectively highlight the need for CAPE practitioners to embrace the three components of sustainable development: environmental, social and economic progress and the role of systematic and sophisticated CAPE tools in delivering these goals. Contributions from the international community of researchers and engineers using computing-based methods in process engineering Review of the latest developments in process systems engineering Emphasis on a systems approach in tackling industrial and societal grand challenges
34th European Symposium on Computer Aided Process Engineering /15th International Symposium on Process Systems Engineering
The 34th European Symposium on Computer Aided Process Engineering / 15th International Symposium on Process Systems Engineering, contains the papers presented at the 34th European Symposium on Computer Aided Process Engineering / 15th International Symposium on Process Systems Engineering joint event. It is a valuable resource for chemical engineers, chemical process engineers, researchers in industry and academia, students, and consultants for chemical industries. - Presents findings and discussions from the 34th European Symposium on Computer Aided Process Engineering / 15th International Symposium on Process Systems Engineering joint event
