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THE STRENGTH OF THE H-BOND: DEFINITIONS AND THERMODYNAMICS

Gastone Gilli and Paola Gilli

in The Nature of the Hydrogen Bond: Outline of a Comprehensive Hydrogen Bond Theory

Published in print:
2009
Published Online:
September 2009
ISBN:
9780199558964
eISBN:
9780191720949
Item type:
chapter
Publisher:
Oxford University Press
DOI:
10.1093/acprof:oso/9780199558964.003.0008
Subject:
Physics, Crystallography: Physics

This chapter analyzes thermodynamic parameters (ΔG°, ΔH°, ΔS°, and ΔCp°) of the H-bond association equilibrium in gas-phase, crystalline solids, and non-polar and aqueous solvents. The key feature is ... More


Thermodynamic potentials

Stephen J. Blundell and Katherine M. Blundell

in Concepts in Thermal Physics

Published in print:
2009
Published Online:
January 2010
ISBN:
9780199562091
eISBN:
9780191718236
Item type:
chapter
Publisher:
Oxford University Press
DOI:
10.1093/acprof:oso/9780199562091.003.0016
Subject:
Physics, Particle Physics / Astrophysics / Cosmology

The internal energy U of a system is a function of state, which means that a system undergoes the same change in U when we move it from one equilibrium state to another, irrespective of which route ... More


The molecule: structure, size and shape

ANGELO GAVEZZOTTI

in Molecular Aggregation: Structure analysis and molecular simulation of crystals and liquids

Published in print:
2006
Published Online:
January 2010
ISBN:
9780198570806
eISBN:
9780191718779
Item type:
chapter
Publisher:
Oxford University Press
DOI:
10.1093/acprof:oso/9780198570806.003.0001
Subject:
Physics, Atomic, Laser, and Optical Physics

The relationships between atoms and molecules are mediated by the theory of chemical bonding. Atoms were forged in the extreme conditions that occurred at the cores of stars in the early stages of ... More


The liquid state

ANGELO GAVEZZOTTI

in Molecular Aggregation: Structure analysis and molecular simulation of crystals and liquids

Published in print:
2006
Published Online:
January 2010
ISBN:
9780198570806
eISBN:
9780191718779
Item type:
chapter
Publisher:
Oxford University Press
DOI:
10.1093/acprof:oso/9780198570806.003.0009
Subject:
Physics, Atomic, Laser, and Optical Physics

In the gaseous state, molecules are to a good approximation isolated entities traveling in space at high speed with sparse and near elastic collisions. At the other extreme, a perfect crystal has a ... More


Enthalpy and thermochemistry

Dennis Sherwood and Paul Dalby

in Modern Thermodynamics for Chemists and Biochemists

Published in print:
2018
Published Online:
August 2018
ISBN:
9780198782957
eISBN:
9780191826177
Item type:
chapter
Publisher:
Oxford University Press
DOI:
10.1093/oso/9780198782957.003.0006
Subject:
Physics, Theoretical, Computational, and Statistical Physics

Definition and mathematics of enthalpy. Definition of heat capacity at constant pressure as CP = (∂H/∂T)V. Endothermic and exothermic reactions. Role of the change in enthalpy as regards the ... More


Thermochemistry

Christopher O. Oriakhi

in Chemistry in Quantitative Language: Fundamentals of General Chemistry Calculations

Published in print:
2021
Published Online:
November 2021
ISBN:
9780198867784
eISBN:
9780191904509
Item type:
chapter
Publisher:
Oxford University Press
DOI:
10.1093/oso/9780198867784.003.0020
Subject:
Chemistry, Physical Chemistry, Quantum and Theoretical Chemistry

Thermochemistry explores the basic principles of energy changes in chemical reactions. Calorimetry is described as a tool to measure the quantity of heat involved in a chemical or physical change. ... More


Boltzmann’s Equation: Thermodynamics

Brian Cantor

in The Equations of Materials

Published in print:
2020
Published Online:
September 2020
ISBN:
9780198851875
eISBN:
9780191886683
Item type:
chapter
Publisher:
Oxford University Press
DOI:
10.1093/oso/9780198851875.003.0004
Subject:
Physics, Condensed Matter Physics / Materials, Theoretical, Computational, and Statistical Physics

Thermodynamics describes the relationship between heat, work, energy and motion. The key concepts are the conservation of energy and the maximisation of entropy (or disorder) as given by the first ... More


Energy in Thermal Physics

Daniel V. Schroeder

in An Introduction to Thermal Physics

Published in print:
2021
Published Online:
March 2021
ISBN:
9780192895547
eISBN:
9780191915000
Item type:
chapter
Publisher:
Oxford University Press
DOI:
10.1093/oso/9780192895547.003.0001
Subject:
Physics, Theoretical, Computational, and Statistical Physics

The behavior of energy in bulk-matter systems is subtle. We observe that energy flows spontaneously from high to low temperature; we refer to this flowing energy as heat; and we distinguish heat from ... More


Chemical Thermodynamics

Christopher O. Oriakhi

in Chemistry in Quantitative Language: Fundamentals of General Chemistry Calculations

Published in print:
2021
Published Online:
November 2021
ISBN:
9780198867784
eISBN:
9780191904509
Item type:
chapter
Publisher:
Oxford University Press
DOI:
10.1093/oso/9780198867784.003.0021
Subject:
Chemistry, Physical Chemistry, Quantum and Theoretical Chemistry

Chemical Thermodynamics discusses the fundamental laws of thermodynamics along with their relationships to heat, work, enthalpy, entropy, and temperature. Predicting the direction of a spontaneous ... More


The Thermophysical Properties of Metallic Liquids: Volume 2 — Predictive Models

Takamichi Iida and Roderick I. L. Guthrie

Published in print:
2015
Published Online:
November 2015
ISBN:
9780198729846
eISBN:
9780191796661
Item type:
book
Publisher:
Oxford University Press
DOI:
10.1093/acprof:oso/9780198729846.001.0001
Subject:
Physics, Condensed Matter Physics / Materials

The main purpose of materials science and engineering is to make the best use of all the elements in the periodic table. This leads to the effective use and conservation of natural resources. For ... More


Thermodynamic Potentials

Robert H. Swendsen

in An Introduction to Statistical Mechanics and Thermodynamics

Published in print:
2019
Published Online:
February 2020
ISBN:
9780198853237
eISBN:
9780191887703
Item type:
chapter
Publisher:
Oxford University Press
DOI:
10.1093/oso/9780198853237.003.0012
Subject:
Physics, Condensed Matter Physics / Materials, Theoretical, Computational, and Statistical Physics

Thermodynamics specifies the relation between an independent, predictor variable, and what is predicted. It is often the case that changing the variables regarded as independent can greatly simplify ... More


Extremum Principles

Robert H. Swendsen

in An Introduction to Statistical Mechanics and Thermodynamics

Published in print:
2019
Published Online:
February 2020
ISBN:
9780198853237
eISBN:
9780191887703
Item type:
chapter
Publisher:
Oxford University Press
DOI:
10.1093/oso/9780198853237.003.0015
Subject:
Physics, Condensed Matter Physics / Materials, Theoretical, Computational, and Statistical Physics

This chapter derives the energy minimum principle from the entropy maximum principle. It postulates and consider the consequences of extensivity. From this are further derived minimum principles for ... More


Energy and heat

Andrew Clarke

in Principles of Thermal Ecology: Temperature, Energy, and Life

Published in print:
2017
Published Online:
October 2017
ISBN:
9780199551668
eISBN:
9780191847936
Item type:
chapter
Publisher:
Oxford University Press
DOI:
10.1093/oso/9780199551668.003.0002
Subject:
Biology, Ecology

Energy is the capacity to do work and heat is the spontaneous flow of energy from one body or system to another through the random movement of atoms or molecules. The entropy of a system determines ... More


Temperature and reaction rate

Andrew Clarke

in Principles of Thermal Ecology: Temperature, Energy, and Life

Published in print:
2017
Published Online:
October 2017
ISBN:
9780199551668
eISBN:
9780191847936
Item type:
chapter
Publisher:
Oxford University Press
DOI:
10.1093/oso/9780199551668.003.0007
Subject:
Biology, Ecology

All other things being equal, physiological reaction rate increases roughly exponentially with temperature. Organisms that have adapted over evolutionary time to live at different temperatures can ... More


Free energy

Dennis Sherwood and Paul Dalby

in Modern Thermodynamics for Chemists and Biochemists

Published in print:
2018
Published Online:
August 2018
ISBN:
9780198782957
eISBN:
9780191826177
Item type:
chapter
Publisher:
Oxford University Press
DOI:
10.1093/oso/9780198782957.003.0013
Subject:
Physics, Theoretical, Computational, and Statistical Physics

A critical chapter, explaining how the principles of thermodynamics can be applied to real systems. The central concept is the Gibbs free energy, which is explored in depth, with many examples. ... More


Mathematical round up

Dennis Sherwood and Paul Dalby

in Modern Thermodynamics for Chemists and Biochemists

Published in print:
2018
Published Online:
August 2018
ISBN:
9780198782957
eISBN:
9780191826177
Item type:
chapter
Publisher:
Oxford University Press
DOI:
10.1093/oso/9780198782957.003.0021
Subject:
Physics, Theoretical, Computational, and Statistical Physics

This chapter draws together all the main mathematical equations into a single, structured, sequence, so providing a source of reference, as well as enabling the student to appreciate how ... More


Raman Spectroscopy Applied to Molecular Conformational Analysis

Robert N. Compton and Michael A. Duncan

in Laser Experiments for Chemistry and Physics

Published in print:
2015
Published Online:
December 2015
ISBN:
9780198742975
eISBN:
9780191816932
Item type:
chapter
Publisher:
Oxford University Press
DOI:
10.1093/acprof:oso/9780198742975.003.0029
Subject:
Physics, Atomic, Laser, and Optical Physics

Conformational isomers represent one form of stereoisomer in which the two structures can be interconverted by simple rotations about a single bond. Such conformational isomers are called rotomers ... More


Thermodynamic Properties

Takamichi Iida and Roderick I.L. Guthrie

in The Thermophysical Properties of Metallic Liquids: Volume 1 — Fundamentals

Published in print:
2015
Published Online:
November 2015
ISBN:
9780198729839
eISBN:
9780191796654
Item type:
chapter
Publisher:
Oxford University Press
DOI:
10.1093/acprof:oso/9780198729839.003.0004
Subject:
Physics, Condensed Matter Physics / Materials

This chapter discusses some of the more important thermodynamic properties of liquid metallic elements in the area of materials process science. These are evaporation enthalpy, vapour pressure, and ... More


Experimentally Derived Data for the Thermophysical Properties of Liquid Metallic Elements

Takamichi Iida and Roderick I.L. Guthrie

in The Thermophysical Properties of Metallic Liquids: Volume 2 — Predictive Models

Published in print:
2015
Published Online:
November 2015
ISBN:
9780198729846
eISBN:
9780191796661
Item type:
chapter
Publisher:
Oxford University Press
DOI:
10.1093/acprof:oso/9780198729846.003.0017
Subject:
Physics, Condensed Matter Physics / Materials

This chapter provides a compilation (in tabular form) of experimental data for the thermophysical properties of liquid metallic elements. The properties covered include melting and boiling points, ... More


Quantum Mechanical Ensemble Averages and Statistical Thermodynamics

Norman J. Morgenstern Horing

in Quantum Statistical Field Theory: An Introduction to Schwinger's Variational Method with Green's Function Nanoapplications, Graphene and Superconductivity

Published in print:
2017
Published Online:
January 2018
ISBN:
9780198791942
eISBN:
9780191834165
Item type:
chapter
Publisher:
Oxford University Press
DOI:
10.1093/oso/9780198791942.003.0006
Subject:
Physics, Theoretical, Computational, and Statistical Physics

Chapter 6 introduces quantum-mechanical ensemble theory by proving the asymptotic equivalence of the quantum-mechanical, microcanonical ensemble average with the quantum grand canonical ensemble ... More


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