Theory of Simple Liquids
The third edition of Theory of Simple Liquids is an updated, advanced, but self-contained introduction to the principles of liquid-state theory. It presents the modern, molecular theory of the structural, thermodynamic interfacial and dynamical properties of the liquid phase of materials constituted of atoms, small molecules or ions. This book leans on concepts and methods form classical Statistical Mechanics in which theoretical predictions are systematically compared with experimental data and results from numerical simulations.
The overall layout of the book is similar to that of the previous two editions however, there are considerable changes in emphasis and several key additions including:
•up-to-date presentation of modern theories of liquid-vapour coexistence and criticality
•areas of considerable present and future interest such as super-cooled liquids and the glass transition
•the area of liquid metals, which has grown into a mature subject area, now presented as part of the chapter ionic liquids
•Provides cutting-edge research in the principles of liquid-state theory
•Includes frequent comparisons of theoretical predictions with experimental and simulation data
•Suitable for researchers and post-graduates in the field of condensed matter science (Physics, Chemistry, Material Science), biophysics as well as those in the oil industry
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Two theorems in densityfunctional theory
Lemmas on diagrams
Solution of the PY equation for hard spheres
Theories of Timecorrelation Functions
Autres éditions - Tout afficher
approximation atomic autocorrelation function average behaviour black circles calculation charge Chem chemical potential coefficient collision coordinates correlation function corresponding curve decay defined derived diagrams diameter direct correlation function ensemble equation equilibrium expansion expression external field fluctuations Fourier components Fourier transform free energy frequency generalised given grand canonical ensemble grand potential hard hard-sphere hard-sphere fluid hydrodynamic integral interaction ionic ions Laplace transform Lennard-Jones fluid Lennard-Jones potential limit liquid longitudinal memory function microscopic molecular molecular-dynamics molecule Monte Carlo neutron obtained pair distribution function pair potential parameter perturbation phase Phys properties reference system right-hand side scattering Section shows simulations single-particle site–site solution spheres statistical mechanics structure factor tagged particle temperature theory thermal thermodynamic tion variables vector virial viscoelastic viscosity wavelengths wavenumber
Page v - PREFACE TO THE SECOND EDITION The first edition of this book was...
Page 144 - H. Eyring, D. Henderson and W. Jost (Eds.), Academic Press, New York (1971) Vol.
Page 42 - Pn(f) be the probability that the system is in state n at time t Pn(t) = P[N(t) = n].
Page 42 - regular' if any state can be reached from any other state in a finite number of steps and if it is not cyclic.
Page 76 - Mansoori, GA, Carnahan, NF, Starling/ KE, and Leland, TW, J. Chem. Phys . (1971) 54^ 1523.
Page 106 - Born, M. and Green, MS, A General Kinetic Theory of Liquids, Cambridge University Press, Cambridge, 1949.
Page 39 - ... occasional rescaling of particle velocities is therefore needed. Once equilibrium is reached, the system is allowed to evolve undisturbed, with both potential and kinetic energies fluctuating around steady, mean values; the temperature of the system is calculated from the timeaveraged kinetic energy, as in (2.2.4).
Page 108 - ... the potential being treated as a perturbation. The choice of the hard-sphere fluid as a reference system is an obvious one, since its thermodynamic and structural properties are well known. The idea of representing a liquid as a system of hard spheres moving in a uniform, attractive potential...
Page 42 - ... say that the system occupies a particular state at that point. If the probability of finding the system in a state n at "time...
Page 144 - Andersen, HC, Weeks, JD, and Chandler, D., Phys. Rev. A 4, 1597 (1971).