Model Reduction and Coarse-Graining Approaches for Multiscale Phenomena


Book Description

Model reduction and coarse-graining are important in many areas of science and engineering. How does a system with many degrees of freedom become one with fewer? How can a reversible micro-description be adapted to the dissipative macroscopic model? These crucial questions, as well as many other related problems, are discussed in this book. All contributions are by experts whose specialities span a wide range of fields within science and engineering.




Multiscale Model Reduction


Book Description

This monograph is devoted to the study of multiscale model reduction methods from the point of view of multiscale finite element methods. Multiscale numerical methods have become popular tools for modeling processes with multiple scales. These methods allow reducing the degrees of freedom based on local offline computations. Moreover, these methods allow deriving rigorous macroscopic equations for multiscale problems without scale separation and high contrast. Multiscale methods are also used to design efficient solvers. This book offers a combination of analytical and numerical methods designed for solving multiscale problems. The book mostly focuses on methods that are based on multiscale finite element methods. Both applications and theoretical developments in this field are presented. The book is suitable for graduate students and researchers, who are interested in this topic.




Practical Aspects of Computational Chemistry


Book Description

"Practical Aspects of Computational Chemistry" presents contributions on a range of aspects of Computational Chemistry applied to a variety of research fields. The chapters focus on recent theoretical developments which have been used to investigate structures and properties of large systems with minimal computational resources. Studies include those in the gas phase, various solvents, various aspects of computational multiscale modeling, Monte Carlo simulations, chirality, the multiple minima problem for protein folding, the nature of binding in different species and dihydrogen bonds, carbon nanotubes and hydrogen storage, adsorption and decomposition of organophosphorus compounds, X-ray crystallography, proton transfer, structure-activity relationships, a description of the REACH programs of the European Union for chemical regulatory purposes, reactions of nucleic acid bases with endogenous and exogenous reactive oxygen species and different aspects of nucleic acid bases, base pairs and base tetrads.




Dynamics and Nonlinear Control of Integrated Process Systems


Book Description

A theoretical and practical guide to reducing model complexity and achieving tight control of modern integrated plants.







Multiscale Modeling for Process Safety Applications


Book Description

Multiscale Modeling for Process Safety Applications is a new reference demonstrating the implementation of multiscale modeling techniques on process safety applications. It is a valuable resource for readers interested in theoretical simulations and/or computer simulations of hazardous scenarios. As multi-scale modeling is a computational technique for solving problems involving multiple scales, such as how a flammable vapor cloud might behave if ignited, this book provides information on the fundamental topics of toxic, fire, and air explosion modeling, as well as modeling jet and pool fires using computational fluid dynamics. The book goes on to cover nanomaterial toxicity, QPSR analysis on relation of chemical structure to flash point, molecular structure and burning velocity, first principle studies of reactive chemicals, water and air reactive chemicals, and dust explosions. Chemical and process safety professionals, as well as faculty and graduate researchers, will benefit from the detailed coverage provided in this book. - Provides the only comprehensive source addressing the use of multiscale modeling in the context of process safety - Bridges multiscale modeling with process safety, enabling the reader to understand mapping between problem detail and effective usage of resources - Presents an overall picture of addressing safety problems in all levels of modeling and the latest approaches to each in the field - Features worked out examples, case studies, and a question bank to aid understanding and involvement for the reader




Coping with Complexity: Model Reduction and Data Analysis


Book Description

This volume contains the extended version of selected talks given at the international research workshop "Coping with Complexity: Model Reduction and Data Analysis", Ambleside, UK, August 31 – September 4, 2009. The book is deliberately broad in scope and aims at promoting new ideas and methodological perspectives. The topics of the chapters range from theoretical analysis of complex and multiscale mathematical models to applications in e.g., fluid dynamics and chemical kinetics.




Computational Methods for Solids and Fluids


Book Description

This volume contains the best papers presented at the 2nd ECCOMAS International Conference on Multiscale Computations for Solids and Fluids, held June 10-12, 2015. Topics dealt with include multiscale strategy for efficient development of scientific software for large-scale computations, coupled probability-nonlinear-mechanics problems and solution methods, and modern mathematical and computational setting for multi-phase flows and fluid-structure interaction. The papers consist of contributions by six experts who taught short courses prior to the conference, along with several selected articles from other participants dealing with complementary issues, covering both solid mechanics and applied mathematics.




Modelling and Simulation of Integrated Systems in Engineering


Book Description

This book places particular emphasis on issues of model quality and ideas of model testing and validation. Mathematical and computer-based models provide a foundation for explaining complex behaviour, decision-making, engineering design and for real-time simulators for research and training. Many engineering design techniques depend on suitable models, assessment of the adequacy of a given model for an intended application is therefore critically important. Generic model structures and dependable libraries of sub-models that can be applied repeatedly are increasingly important. Applications are drawn from the fields of mechanical, aeronautical and control engineering, and involve non-linear lumped-parameter models described by ordinary differential equations. - Focuses on issues of model quality and the suitability of a given model for a specific application - Multidisciplinary problems within engineering feature strongly in the applications - The development and testing of nonlinear dynamic models is given very strong emphasis




Advanced Control of Chemical Processes 1994


Book Description

This publication brings together the latest research findings in the key area of chemical process control; including dynamic modelling and simulation - modelling and model validation for application in linear and nonlinear model-based control: nonlinear model-based predictive control and optimization - to facilitate constrained real-time optimization of chemical processes; statistical control techniques - major developments in the statistical interpretation of measured data to guide future research; knowledge-based v model-based control - the integration of theoretical aspects of control and optimization theory with more recent developments in artificial intelligence and computer science.