J. P. Hansen

This book gives a comprehensive and up-to-date treatment of the theory of "simple" liquids. The new second edition has been rearranged and considerably expanded to give a balanced account both of basic theory and of the advances of the past decade. It presents the main ideas of modern liquid state theory in a way that is both pedagogical and self-contained. The book should be accessible to graduate students and research workers, both experimentalists and theorists, who have a good background in elementary mechanics.Key Features* Compares theoretical deductions with experimental r

Comprehensive coverage of topics in the theory of classical liquids Widely regarded as the standard text in its field, Theory of Simple Liquids gives an advanced but self-contained account of liquid state theory within the unifying framework provided by classical statistical mechanics. The structure of this revised and updated Fourth Edition is similar to that of the previous one but there are significant shifts in emphasis and much new material has been added. Major changes and Key Features in content include: Expansion of existing sections on simulation methods, liquid-vapour coexisten

The equilibrium properties of a classical one-component plasma, in a uniform background of opposite charge, are computed for systems of various sizes by the Monte Carlo method of Metropolis et al. Following the work of Brush, Sahlin, and Teller, the periodicity of the system is accounted for by replacing the long-range Coulomb potential by an effective Ewald sum. Thermodynamic properties are computed over the whole density range of the fluid phase of the system, and their $N$ dependence is carefully investigated. A semiempirical equation of state is proposed from which all thermodynamic properties can be easily derived. Quantum corrections to these properties are calculated to first order in the Wigner expansion. Radial distribution functions, direct-correlation functions, and structure factors at various densities are tabulated. It is shown that at all densities, the direct-correlation function tends rapidly towards its Debye-H\"uckel form, in contrast to the radial distribution function. The behavior of the structure factor at small wave vectors is also shown to be in good agreement with the Debye-H\"uckel predictions at all densities.

We map dilute or semidilute solutions of nonintersecting polymer chains onto a fluid of "soft" particles interacting via a concentration dependent effective pair potential, by inverting the pair distribution function of the centers of mass of the initial polymer chains. A similar inversion is used to derive an effective wall-polymer potential; these potentials are combined to successfully reproduce the calculated exact depletion interaction induced by nonintersecting polymers between two walls. The mapping opens up the possibility of large-scale simulations of polymer solutions in complex geometries.

We present extensive molecular-dynamics (MD) computations of the time-dependent correlation functions of the classical one-component plasma over a wide range of thermodynamic states characterized by the dimensionless parameter $\ensuremath{\Gamma}=\frac{{e}^{2}}{a{k}_{B}T}$, where $a$ is the ion-sphere radius. The computed velocity autocorrelation functions exhibit marked oscillations for $\ensuremath{\Gamma}\ensuremath{\gtrsim}10$ at a frequency close to the plasma frequency, showing the existence of strong coupling between single-particle and collective modes; this is confirmed by a standard memory-function analysis. The dynamical structure factor consists of very sharp peaks near the plasma frequency, up to wave vectors of order $\frac{1}{a}$. The resulting dispersion curve exhibits negative dispersion for $\ensuremath{\Gamma}\ensuremath{\gtrsim}3$. A simple memory-function analysis reproduces the MD data very well. At $\ensuremath{\Gamma}=152.4$ our computations also provide evidence of well-defined shear modes. For large wave vectors a second, high-frequency transverse mode appears. From the correlation functions we have finally extracted estimates of the diffusion constant and the coefficient of shear viscosity. Near crystallization the shear viscosity has a value which is unusually large compared with that of simple liquids near the triple point.