A comprehensive overview of current developments and applications in biofuels production Process Systems Engineering for Biofuels Development brings together the latest and most cutting-edge research on the production of biofuels. As the first book specifically devoted to process systems engineering for the production of biofuels, Process Systems Engineering for Biofuels Development covers theoretical, computational and experimental issues in biofuels process engineering. Written for researchers and postgraduate students working on biomass conversion and sustainable process design, as well as industrial practitioners and engineers involved in process design, modeling and optimization, this book is an indispensable guide to the newest developments in areas including: Enzyme-catalyzed biodiesel production Process analysis of biodiesel production (including kinetic modeling, simulation and optimization) The use of ultrasonification in biodiesel production Thermochemical processes for biomass transformation to biofuels Production of alternative biofuels In addition to the comprehensive overview of the subject of biofuels found in the Introduction of the book, the authors of various chapters have provided extensive discussions of the production and separation of biofuels via novel applications and techniques.

Uncertainty Quantification in Multiscale Materials Modeling provides a complete overview of uncertainty quantification (UQ) in computational materials science. It provides practical tools and methods along with examples of their application to problems in materials modeling. UQ methods are applied to various multiscale models ranging from the nanoscale to macroscale. This book presents a thorough synthesis of the state-of-the-art in UQ methods for materials modeling, including Bayesian inference, surrogate modeling, random fields, interval analysis, and sensitivity analysis, providing insight into the unique characteristics of models framed at each scale, as well as common issues in modeling across scales.

This book compiles selected publications authored or co-authored by the editor to present a comprehensive understanding of following topics: (1) density functional theory and CALPHAD modeling; (2) computational tools; and (3) applications of computational thermodynamics. It is noted that while entropy at one scale is well represented by standard statistical mechanics in terms of probability of individual configurations at that scale, the theory capable of counting total entropy of a system from different scales is lacking. The zentropy theory provides a nested form for configurational entropy enabling multiscale modeling to account for disorder and fluctuations from the electronic scale based on quantum mechanics to the experimental scale based on statistical mechanics using free energies of individual configurations rather than their total energies in standard statistical mechanics. The predictions from the zentropy theory demonstrate remarkable agreements with experimental observations for magnetic transitions and associated emergent behaviors of strongly correlated metals and oxides, including singularity and instability at critical points and positive and negative thermal expansions, without the need of additional truncated models and fitting model parameters beyond density function theory. This paves the way to provide the predicted phase equilibrium data for high throughput predictive CALPHAD modeling of complex material systems, and those individual configurations may thus be considered as the genomic building blocks of individual phases in the spirit of Materials Genome®.

Environmental modelling has enjoyed a long tradition, but there is a defined need to continually address both the power and the limitations of such models, as well as their quantitative assessment. This book showcases modern environmental modelling methods, the basic theory behind them and their incorporation into complex environmental investigations. It highlights advanced computing technologies and how they have led to unprecedented and adaptive modelling, simulation and decision-support tools to study complex environmental systems, and how they can be applied to current environmental concerns. This volume is essential reading for researchers in academia, industry and government-related bodies who have a vested interest in all aspects of environmental modelling. Features include: A range of modern environmental modelling techniques are described by experts from around the world, including the USA, Canada, Australia, Europe and Thailand; many examples from air, water, soil/sediment and biological matrices are covered in detail throughout the book; key chapters are included on modelling uncertainty and sensitivity analysis; and, a selection of figures are provided in full colour to enable greater comprehension of the topics discussed.

During the last decade, research in Uncertainty Quantification (UC) has received a tremendous boost, in fluid engineering and coupled structural-fluids systems. New algorithms and adaptive variants have also emerged.This timely compendium overviews in detail the current state of the art of the field, including advances in structural engineering, along with the recent focus on fluids and coupled systems. Such a strong compilation of these vibrant research areas will certainly be an inspirational reference material for the scientific community.

Volume 17 of Reviews in Mineralogy is based on a short course, entitled "Thermodynamic Modeling of Geological Materials: Minerals, Fluids amd Melts," October 22-25, 1987, at the Wickenburg Inn near Phoenix, Arizona. Contents: Thermodynamic Analysis of Phase Equilibria in Simple Mineral Systems Models of Crystalline solutions Thermodynamics of Multicomponent Systems Containing Several Solid Solutions Thermodynamic Model for Aqueous Solutions of Liquid-like Density Models of Mineral Solubility in Concentrated Brines with Application to Field Observations Calculation of the Thermodynamic Properties of Aqueous Species and the Solubilities of Minerals in Supercritical Electrolyte Solutions Igneous Fluids Ore Fluids: Magmatic to Supergene Thermodynamic Models of Molecular Fluids at the Elevated Pressures and Temperatures of Crustal Metamorphism Mineral Solubilities and Speciation in Supercritical Metamorphic Fluids Development of Models for Multicomponent Melts: Analysis of Synthetic Systems Modeling Magmatic Systems: Thermodynamic Relations Modeling Magmatic Systems: Petrologic Applications

A brand-new conceptual look at dynamical thermodynamics This book merges the two universalisms of thermodynamics and dynamical systems theory in a single compendium, with the latter providing an ideal language for the former, to develop a new and unique framework for dynamical thermodynamics. In particular, the book uses system-theoretic ideas to bring coherence, clarity, and precision to an important and poorly understood classical area of science. The dynamical systems formalism captures all of the key aspects of thermodynamics, including its fundamental laws, while providing a mathematically rigorous formulation for thermodynamical systems out of equilibrium by unifying the theory of mechanics with that of classical thermodynamics. This book includes topics on nonequilibrium irreversible thermodynamics, Boltzmann thermodynamics, mass-action kinetics and chemical reactions, finite-time thermodynamics, thermodynamic critical phenomena with continuous and discontinuous phase transitions, information theory, continuum and stochastic thermodynamics, and relativistic thermodynamics. A Dynamical Systems Theory of Thermodynamics develops a postmodern theory of thermodynamics as part of mathematical dynamical systems theory. The book establishes a clear nexus between thermodynamic irreversibility, the second law of thermodynamics, and the arrow of time to further unify discreteness and continuity, indeterminism and determinism, and quantum mechanics and general relativity in the pursuit of understanding the most fundamental property of the universe—the entropic arrow of time.