This book is a practical, easy to use guide for readers with limited experience of molecular modelling. It will provide students at the undergraduate and early postgraduate chemistry level with a similar entry to modelling. The needs of independent readers are catered for by the inclusion of instructions for acquiring and setting up a suitable computer. Unlike many other textbooks in this field, the authors avoid extensive discussion around complex mathematical foundations behind the metho...

The Definitive Guide to Chemical Reaction Engineering Problem-Solving -- With Updated Content and More Active LearningFor decades, H. Scott Fogler's Elements of Chemical Reaction Engineering has been the world's dominant chemical reaction engineering text. This Sixth Edition and integrated Web site deliver a more compelling active learning experience than ever before. Using sliders and interactive examples in Wolfram, Python, POLYMATH, and...

This edited book is written for students, postdocs and established investigators who want to enter the field of single-particle cryo-EM. This is a recently developed method to determine high-resolution structures of biological macromolecules. A major strength is the fact that cryo-EM does not require prior crystallization of protein complexes. Furthermore, it is especially well suited for larger complexes and molecular machines, although it can also be used for macromolecules as small as 4...

Crystallography Made Crystal Clear makes crystallography accessible to readers who have no prior knowledge of the field or its mathematical basis. This is the most comprehensive and concise reference for beginning Macromolecular crystallographers, written by a leading expert in the field. Rhodes' uses visual and geometric models to help readers understand the mathematics that form the basis of x-ray crystallography. He has invested a great deal of time and effort on World Wide Web tools fo...

Today’s Definitive, Undergraduate-Level Introduction to Chemical Reaction Engineering Problem-SolvingFor 30 years, H. Scott Fogler’s Elements of Chemical Reaction Engineering has been the #1 selling text for courses in chemical reaction engineering worldwide. Now, in Essentials of Chemical Reaction Engineering, Second Edition, Fogler has distilled this classic into a modern, introductory-level guide specifically for undergraduates...

This is the first textbook in the field of electrochemistry that will teach experimental electrochemists how to carry out simulation of electrode processes. Processes at both macro- and micro-electrodes are examined and the simulation of both diffusion-only and diffusion-convection processes are addressed. The simulation of processes with coupled homogeneous kinetics and at microelectrode arrays are further discussed. Over the course of the book the reader's understanding is developed to t...

Completely revised and substantially extended to reflect the developments in this fast-changing field. It retains the interdisciplinary approachthat elegantly combines the chemistry and engineering involved to describe the conception and improvement of chromatographic processes.It also covers recent advances in preparative chromatographic processes for the separation of "smaller" molecules using standardlaboratory equipment as well as the detailed conception of industr...

This book covers the area of product and process modelling via a case study approach. It addresses a wide range of modelling applications with emphasis on modelling methodology and the subsequent in-depth analysis of mathematical models to gain insight via structural aspects of the models. These approaches are put into the context of life cycle modelling, where multiscale and multiform modelling is increasingly prevalent in the 21st century. The book commences with a discussion of modern p...

Presenting cutting-edge research and development within multiscale modeling techniques and frameworks, Multiscale Analysis of Deformation and Failure of Materials systematically describes the background, principles and methods within this exciting new & interdisciplinary field.The author’s approach emphasizes the principles and methods of atomistic simulation and its transition to the nano and sub-micron scale of a continuum, which is technically important for nanotechnology and bi...

Powder diffraction is a widely used scientific technique in the characterization of materials with broad application in materials science, chemistry, physics, geology, pharmacology and archaeology. Powder Diffraction: Theory and Practice provides an advanced introductory text about modern methods and applications of powder diffraction in research and industry. The authors begin with a brief overview of the basic theory of diffraction from crystals and powders. Data collection strategies ar...

Moving Particle Semi-implicit Method: A Meshfree Particle Method for Fluid Dynamics begins by familiarizing the reader with basic theory that supports their journey through sections on advanced MPH methods. The unique insights that this method provides include fluid-structure interaction, non-Newtonian flow, and cavitation, making it relevant to a wide range of applications in the mechanical, structural, and nuclear industries, and in bioengineering. Co-authored by the originator of the MP...

This open access textbook fills a gap, in that it introduces readers to the theory and applications of the Phase-Field technique. Phase Field, over the years, has emerged as a standard tool for materials research, just as the Finite-Element technique has in structure mechanics. Whereas the few existing textbooks on this topic are intended for advanced readers, this one is made accessible to the widest possible audience, through an engaging, lecture format. The content grows out of a course...