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Computational Methods in Chemical Engineering with Maple
This book presents Maple solutions to a wide range of problems relevant to chemical engineers and others. Many of these solutions use Maple’s symbolic capability to help bridge the gap between analytical and numerical solutions. The readers are strongly encouraged to refer to the references included in the book for a better understanding of the physics involved, and for the mathematical analysis. This book was written for a senior undergraduate or a first year graduate student course in chemical engineering. Most of the examples in this book were done in Maple 10. However, the codes should run in the most recent version of Maple. We strongly encourage the readers to use the classic workshe...
Theory and Experiment in Electrocatalysis
Topics in Number 50 include: " Investigation of alloy cathode Electrocatalysts " A model Hamiltonian that incorporates the solvent effect to gas-phase density functional theory (DFT) calculations " DFT-based theoretical analysis of ORR mechanisms " Structure of the polymer electrolyte membranes (PEM) " ORR investigated through a DFT-Green function analysis of small clusters " Electrocatalytic oxidation and hydrogenation of chemisorbed aromatic compounds on palladium Electrodes " New models that connect the continuum descriptions with atomistic Monte Carlo simulations " ORR reaction in acid revisited through DFT studies that address the complexity of Pt-based alloys in electrocatalytic proces...
Atomic-Scale Modelling of Electrochemical Systems
Atomic-Scale Modelling of Electrochemical Systems A comprehensive overview of atomistic computational electrochemistry, discussing methods, implementation, and state-of-the-art applications in the field The first book to review state-of-the-art computational and theoretical methods for modelling, understanding, and predicting the properties of electrochemical interfaces. This book presents a detailed description of the current methods, their background, limitations, and use for addressing the electrochemical interface and reactions. It also highlights several applications in electrocatalysis and electrochemistry. Atomic-Scale Modelling of Electrochemical Systems discusses different ways of i...
Battery Management Systems, Volume III: Physics-Based Methods
This book -- the third and final volume in a series describing battery-management systems – shows you how to use physics-based models of battery cells in a computationally efficient way for optimal battery-pack management and control to maximize battery-pack performance and extend life. It covers the foundations of electrochemical model-based battery management system while introducing and teaching the state of the art in physics-based methods for battery management. Building upon the content in volumes I and II, the book helps you identify parameter values for physics-based models of a commercial lithium-ion battery cell without requiring cell teardown; shows you how to estimate the inter...
