Free Energy Calculations PDF Download
Are you looking for read ebook online? Search for your book and save it on your Kindle device, PC, phones or tablets. Download Free Energy Calculations PDF full book. Access full book title Free Energy Calculations by Christophe Chipot. Download full books in PDF and EPUB format.
Author: Christophe Chipot
Publisher: Springer Science & Business Media
ISBN: 3540384472
Category : Language Arts & Disciplines
Languages : en
Pages : 528
Get Book Here
Book Description
Free energy constitutes the most important thermodynamic quantity to understand how chemical species recognize each other, associate or react. Examples of problems in which knowledge of the underlying free energy behaviour is required, include conformational equilibria and molecular association, partitioning between immiscible liquids, receptor-drug interaction, protein-protein and protein-DNA association, and protein stability. This volume sets out to present a coherent and comprehensive account of the concepts that underlie different approaches devised for the determination of free energies. The reader will gain the necessary insight into the theoretical and computational foundations of the subject and will be presented with relevant applications from molecular-level modelling and simulations of chemical and biological systems. Both formally accurate and approximate methods are covered using both classical and quantum mechanical descriptions. A central theme of the book is that the wide variety of free energy calculation techniques available today can be understood as different implementations of a few basic principles. The book is aimed at a broad readership of graduate students and researchers having a background in chemistry, physics, engineering and physical biology.
Author: Christophe Chipot
Publisher: Springer Science & Business Media
ISBN: 3540384472
Category : Language Arts & Disciplines
Languages : en
Pages : 528
Get Book Here
Book Description
Free energy constitutes the most important thermodynamic quantity to understand how chemical species recognize each other, associate or react. Examples of problems in which knowledge of the underlying free energy behaviour is required, include conformational equilibria and molecular association, partitioning between immiscible liquids, receptor-drug interaction, protein-protein and protein-DNA association, and protein stability. This volume sets out to present a coherent and comprehensive account of the concepts that underlie different approaches devised for the determination of free energies. The reader will gain the necessary insight into the theoretical and computational foundations of the subject and will be presented with relevant applications from molecular-level modelling and simulations of chemical and biological systems. Both formally accurate and approximate methods are covered using both classical and quantum mechanical descriptions. A central theme of the book is that the wide variety of free energy calculation techniques available today can be understood as different implementations of a few basic principles. The book is aimed at a broad readership of graduate students and researchers having a background in chemistry, physics, engineering and physical biology.
Author: Tyler G. Hicks
Publisher: McGraw Hill Professional
ISBN: 007174553X
Category : Technology & Engineering
Languages : en
Pages : 734
Get Book Here
Book Description
SOLVE ENERGY PROBLEMS QUICKLY AND ACCURATELY Filled with step-by-step procedures for performing hundreds of calculations, this practical guide helps you solve a variety of applied energy engineering design and operating problems. Handbook of Energy Engineering Calculations features worked-out examples and enables you to obtain accurately results with minimum time and effort. Calculation procedures emphasize greenhouse gas and carbon dioxide emissions control as well as energy conservation and reuse. This is an invaluable, time-saving resource for anyone involved in energy engineering. Comprehensive coverage includes: Energy conversion engineering Steam power generation Gas-turbine power generation Internal-combustion engine energy analysis Nuclear energy engineering Hydroelectric energy power plants Wind power energy design and application Solar power energy application and usage Geothermal energy engineering Ocean energy engineering Heat transfer and energy conservation Fluid transfer engineering Interior climate control energy economics Energy conservation and environmental pollution control
Author: Christophe Chipot
Publisher: Springer Science & Business Media
ISBN: 3540384480
Category : Science
Languages : en
Pages : 528
Get Book Here
Book Description
This volume offers a coherent account of the concepts that underlie different approaches devised for the determination of free energies. It provides insight into the theoretical and computational foundations of the subject and presents relevant applications from molecular-level modeling and simulations of chemical and biological systems. The book is aimed at a broad readership of graduate students and researchers.
Author: Donald Truhlar
Publisher: Springer Science & Business Media
ISBN: 1475717350
Category : Science
Languages : en
Pages : 859
Get Book Here
Book Description
The present volume is concerned with two of the central questions of chemical dynamics. What do we know about the energies of interaction of atoms and molecules with each other and with solid surfaces? How can such interaction energies be used to understand and make quantitative predictions about dynamical processes like scattering, energy transfer, and chemical reactions? It is becoming clearly recognized that the computer is leading to rapid progress in answering these questions. The computer allows probing dynamical mechanisms in fine detail and often allows us to answer questions that cannot be addressed with current experimental techniques. As we enter the 1980's, not only are more powerful and faster computers being used, but techniques and methods have been honed to a state where exciting and reliable data are being generated on a variety of systems at an unprecedented pace. The present volume presents a collection of work that illustrates the capabilities and some of the successes of this kind of computer-assisted research. In a 1978 Chemical Society Report, Frey and Walsh pointed out that "it is extremely doubtful if a calculated energy of activation for any unimolecular decomposition can replace an experimental deter mination. " However they also recorded that they "believe[d] that some of the elaborate calculations being performed at present do suggest that we may be approaching a time when a choice between reaction mechanisms will be helped by such [computational] work.
Author: Scott Dunning
Publisher: CRC Press
ISBN: 8770222592
Category : Science
Languages : en
Pages : 250
Get Book Here
Book Description
Based on the Body of Knowledge, this book is designed to serve as a practical guide for energy professionals preparing to take AEE’s Certified Energy Manager® (CEM®) examination. The reference presents an overview of the specific areas of expertise referenced in the current Body of Knowledge in a guided preparatory format, including detailed, specifically targeted reference materials. The full scope of energy calculations and problem solving strategies which must be mastered are presented, covering relevant codes and standards, energy accounting and economics, electrical, lighting and HVAC systems, motors and drives, industrial systems, building envelope, building automation and control systems, renewable energy, boiler and steam systems, thermal storage, maintenance, commissioning, alternative financing, and much more. Green Building, LEED and Energy Star programs are also addressed. The appendix provides a broad range of useful reference tables, as well as mathematical formulas specific to each specific area of energy management addressed. While aimed at those taking the ANSI-certified CEM exam, this text is also an excellent reference to be used throughout an energy manager’s professional career.
Author: Richard Vaillencourt
Publisher: CRC Press
ISBN: 8770226148
Category : Mathematics
Languages : en
Pages : 234
Get Book Here
Book Description
Updated with new material, this book shares the author’s secrets for simplifying complex energy calculations, and shows you how to use these time-saving methods. It shows you how to cut through the maze using innovative decision-making tools to determine whether you should invest real time and money for developing details of a project being considered. There is information covered on simplified thermodynamics that gives you a blueprint for controlling the building’s energy consumption. Key topics covered include the walk-through audit, pumps & fans VFD, high efficiency motors, insulation, fuel switching, heat recovery, HVAC, air compressor, "energy myths and magic". Each chapter has "Richard’s Retrofit Rules" and anecdotal experience in the retrofit. There is a summary of energy calculations given by category, plus a discussion of performance guarantees that helps a building manager decide which ESCO can best deliver on their promises of energy savings.
Author: Craig Christensen
Publisher:
ISBN:
Category : Architecture and energy conservation
Languages : en
Pages : 16
Get Book Here
Book Description
The utilization of direct solar gains in buildings can be affected by operating profiles, such as schedules for internal gains, thermostat controls, and ventilation rates. Building energy analysis methods use various assumptions about these profiles. This paper describes the effects of typical internal gain assumptions in energy calculations. The results of this study indicate that calculations of annual heating and cooling loads are sensitive to internal gains, but in most cases are relatively insensitive to hourly variation in internal gains.
Author: Richard R. Vaillencourt
Publisher: CRC Press
ISBN: 8770223092
Category : Mathematics
Languages : en
Pages : 225
Get Book Here
Book Description
Completely revised and updated, this fifth edition of a bestseller helps building managers identify what to look for and how to evaluate before making a decision about which guarantee is better for their building and which ESCO can best deliver energy savings. This reference will save countless hours doing energy feasibility studies and associated calculations. The author, a practicing engineer, shares his secrets for simplifying complex energy calculations and demonstrates his unique, time-saving methods.
Author: Richard Vaillencourt
Publisher: The Fairmont Press, Inc.
ISBN: 0881733563
Category : Science
Languages : en
Pages : 220
Get Book Here
Book Description
Author: Daniel M. Martinez
Publisher: Elsevier Science
ISBN: 0128121114
Category : Science
Languages : en
Pages : 326
Get Book Here
Book Description
Energy Efficiency: Concepts and Calculations is the first book of its kind to provide an applied, systems oriented description of energy intensity and efficiency in modern economies across the entire energy chain. With an emphasis on analysis, specifically energy flow analysis, lifecycle energy accounting, economic analysis, technology evaluation, and policies/strategies for adopting high energy efficiency standards, the book provides a comprehensive understanding of the concepts, tools and methodologies for studying and modeling macro-level energy flows through, and within, key economic sectors (electric power, industrial, commercial, residential and transportation). Providing a technical discussion of the application of common methodologies (e.g. cost-benefit analysis and lifecycle assessment), each chapter contains figures intended to be diagnostic, charts and examples from each sector, including the policies that have been put in place to promote and incentivize the adoption of energy efficient technologies. Contains models and tools to analyze each stage at the macro-level by tracking energy consumption and how the resulting data might change energy use Includes accessible references and a glossary of common terms at the end of each chapter Provides diagnostic figures, tables and schematics within the context of local, regional and national energy consumption and utilization
