A systematic discussion of the fundamental principles, written by a leading contributor to the field.

Multi-Scale Phenomena in Complex Fluids is a collection of lecture notes delivered during the ªrst two series of mini-courses from "Shanghai Summer School on Analysis and Numerics in Modern Sciences," which was held in 2004 and 2006 at Fudan University, Shanghai, China. This review volume of 5 chapters, covering various fields in complex fluids, places emphasis on multi-scale modeling, analyses and simulations. It will be of special interest to researchers and graduate students who want to work in the field of complex fluids.

Multiscale Biomechanical Modeling of the Brain discusses the constitutive modeling of the brain at various length scales (nanoscale, microscale, mesoscale, macroscale and structural scale). In each scale, the book describes the state-of-the- experimental and computational tools used to quantify critical deformational information at each length scale. Then, at the structural scale, several user-based constitutive material models are presented, along with real-world boundary value problems. Lastly, design and optimization concepts are presented for use in occupant-centric design frameworks. This book is useful for both academia and industry applications that cover basic science aspects or applied research in head and brain protection. The multiscale approach to this topic is unique, and not found in other books. It includes meticulously selected materials that aim to connect the mechanistic analysis of the brain tissue at size scales ranging from subcellular to organ levels. Presents concepts in a theoretical and thermodynamic framework for each length scale Teaches readers not only how to use an existing multiscale model for each brain but also how to develop a new multiscale model Takes an integrated experimental-computational approach and gives structured multiscale coverage of the problems

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

"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.

One common feature of new emerging technologies is the fusion of the very small (nano) scale and the large scale engineering. The classical environment provided by single scale theories, as for instance by the classical hydrodynamics, is not anymore satisfactory. The main challenge is to keep the important details while still be able to keep the overall picture and simplicity. It is the thermodynamics that addresses this challenge. Our main reason for writing this book is to explain such general viewpoint of thermodynamics and to illustrate it on a very wide range of examples. Contents Levels of description Hamiltonian mechanics Irreversible evolution Reversible and irreversible evolution Multicomponent systems Contact geometry Appendix: Mathematical aspects

Compared to the traditional modeling of computational fluid dynamics, direct numerical simulation (DNS) and large-eddy simulation (LES) provide a very detailed solution of the flow field by offering enhanced capability in predicting the unsteady features of the flow field. In many cases, DNS can obtain results that are impossible using any other me