Statistical mechanics of an ideal gas of non-Abelian anyons

We study the thermodynamical properties of an ideal gas of non-Abelian Chern–Simons particles and we compute the second virial coefficient, considering the effect of general soft-core boundary conditions for the two-body wavefunction at zero distance. The behaviour of the second virial coefficient is studied as a function of the Chern–Simons coupling, the isospin quantum number and the hard-core parameters. Expressions for the main thermodynamical quantities at the lower order of the virial expansion are also obtained: we find that at this order the relation between the internal energy and the pressure is the same found (exactly) for 2D Bose and Fermi ideal gases. A discussion of the comparison of obtained findings with available results in literature for systems of hard-core non-Abelian Chern–Simons particles is also supplied.     

An equation of state for the isotropic phase of linear,partially flexible and fully flexible tangent hard-sphere chain fluids

A new equation of state is developed that accurately describes the isotropic phase behaviour of linear, partially flexible and fully flexible tangent hard-sphere chain fluids and their mixtures. The equation of state is based on the equation of state of Liu and Hu [H. Liu and Y. Hu, Fluid Phase Equilibr. 122, 75 (1996)] for fully flexible chain fluids. The effect of molecular flexibility is described by a pure-component parameter that is introduced in the theory at the level of the cavity correlation function of next-to-nearest neighbour segments in a chain molecule. The equation of state contains a total of three adjustable model constants. The extension to partially flexible- and linear chain fluids is based on a refitting of the first model constant to numerical data of the second virial coefficient of partially flexible and linear tangent hard-sphere chain fluids. The numerical data were obtained from an analytical approximation for the pair-excluded volume. The other two parameters were adjusted to molecular simulation data for the pressure of linear tangent hard-sphere chain fluids. For both, pure component systems and mixtures of chains of variable flexibility, the pressure and second virial coefficient obtained from the equation of state, are in excellent agreement with the results from Monte Carlo simulations. A significant improvement to TPT1, TPT2, generalised Flory-dimer theory and scaled particle theory is observed.     

Delta-function expansion of Mayer function with application to virial coefficients

The Mayer cluster integrals of a fluid with smooth, repulsive interactions are expanded in orders of a well-defined softness parameter. To first but not second order in softness, all virial coefficients are given by their hard-sphere forms with an effective diameter. A closed asymptotic expression is derived for the third virial coefficient which gives excellent results for the inverse power and exponential potentials.     

Critical temperature of infinitely long chains from Wertheim's perturbation theory

Wertheim's theory is used to determine the critical properties of chains formed by m tangent spheres interacting through the pair potential u(r). It is shown that within Wertheim's theory the critical temperature and compressibility factor reach a finite non-zero value for infinitely long chains, whereas the critical density and pressure vanish as m ^-1.5. Analysing the zero density limit of Wertheim's equation or state for chains it is found that the critical temperature of the infinitely long chain can be obtained by solving a simple equation which involves the second virial coefficient of the reference monomer fluid and the second virial coefficient between a monomer and a dimer. According to Wertheim's theory, the critical temperature of an infinitely long chain (i.e. the Θ temperature) corresponds to the temperature where the second virial coefficient of the monomer is equal to 2/3 of the second virial coefficient between a monomer and dimer. This is a simple and useful result. By computing the second virial coefficient of the monomer and that between a monomer and a dimer, we have determined the Θ temperature that follows from Wertheim's theory for several kinds of chains. In particular, we have evaluated Θ for chains made up of monomer units interacting through the Lennard-Jones potential, the square well potential and the Yukawa potential. For the square well potential, the Θ temperature that follows from Wertheim's theory is given by a simple analytical expression. It is found that the ratio of Θ to the Boyle and critical temperatures of the monomer decreases with the range of the potential.     

线型分子势能函数及第二维里系数计算

本文以两中心的Lennard—Jones（2CLJ）流体为研究对象,通过引入与温度相关的势能参数,提出了改进型的2CLJDQP势能函数模型。应用此模型计算了乙烷（C2H6）、六氟乙烷（C2F6）、氟甲烷（CH3F）、氯甲烷（CH3C1）、1,1,1-三氟乙烷（CH3CF3）、二氟乙烷（CH3CHF2）的第二维里系数,较...     

Diverging seventh virial coefficient of sticky discs

The seventh virial coefficient of a two-dimensional system of particles interacting with a hard-core square-well pair potential is studied. The Ree-Hoover type cluster integrals were examined and it was found that a graph in the form of a hexagonal wheel with all the bonds of the attractive square-well type does not allow Baxter's ‘sticky sphere’ limit to be achieved. The value of that particular cluster integral was calculated. It was shown that when approaching the sticky limit the cluster integral corresponding to the hexagonal wheel diverges linearly with the height of the peak in the Mayer f function at the location of the potential square-well. As a consequence, the seventh virial coefficient of the sticky disc system does not have a finite value.     

An Elementary Proof of Lyapunov Exponent Pairing for Hard-Sphere Systems at Constant Kinetic Energy

The conjugate pairing of Lyapunov exponents for a field-driven system with smooth inter-particle interaction at constant total kinetic energy was first proved by Dettmann and Morriss [Phys. Rev. E 53:R5545 (1996)] using simple methods of geometry. Their proof was extended to systems interacting via hard-core inter-particle potentials by Wojtkowski and Liverani [Comm. Math. Phys. 194:47 (1998)], using more sophisticated methods. Another, and somewhat more direct version of the proof for hard-sphere systems has been provided by Ruelle [J. Stat. Phys. 95:393 (1999)]. However, these approaches for hard-sphere systems are somewhat difficult to follow. In this paper, a proof of the pairing of Lyapunov exponents for hard-sphere systems at constant kinetic energy is presented, based on a very simple explicit geometric construction, similar to that of Ruelle. Generalizations of this construction to higher dimensions and arbitrary shapes of scatterers or particles are trivial. This construction also works for hard-sphere systems in an external field with a Nosé–Hoover thermostat. However, there are situations of physical interest, where these proofs of conjugate pairing rule for systems interacting via hard-core inter-particle potentials break down.     

Magnetic anisotropies of some aromatic molecules

A common method for the estimation of uncertainties introduced by surface and impurity effects into experimental measurements of virial coefficients is described. The sign and the amplitude of the second virial coefficient response to perturbation caused by adsorption of molecules on the internal surface of the vessel have been determined. It has been shown that the magnitude of the second virial coefficient distortion depends on such competing factors as adsorption-impurity perturbation parameter, mixture composition which has been corrected taking into account this perturbation, and the nature of the impurity expressed in terms of its second virial coefficient and of the solvent-impurity cross second virial coefficient. The character of the Lennard-Jones 12–6 potential parameters perturbation, caused by the adsorption-impurity effects, is determined using second virial coefficient data inversion technique. Numerical estimates are made for nitrogen, helium, argon, xenon, their binary mixtures, and also for krypton-sulphur hexafluoride gaseous mixtures.     

Computation of high-order virial coefficients in high-dimensional hard-sphere fluids by Mayer sampling

The Mayer sampling method was used to compute the virial coefficients of high-dimensional hard-sphere fluids. The first 64 virial coefficients for dimensions 12 < D ? 100 were obtained to high precision, and several lower dimensional virial coefficients were computed. The radii of convergence of the virial series in 13, 15, 17 and 19 dimensions agreed well with the analytical results from the Percus–Yevick closure.     

Accurate second Kerr virial coefficient of rare gases from the state-of-the-art ab initio potentials and (hyper)polarizabilities

The second Kerr virial coefficient of rare gases is studied in this work using the best ab initio potentials and (hyper)polarizabilities in the literature. The second Kerr virial coefficient of helium-4, helium-3, neon, argon, and krypton and its polarizability component of xenon are computed by the semi-classical method together with the Padé approximant over a wide temperature range. In addition, the uncertainty of second Kerr virial coefficient is estimated from the uncertainties of the ab initio interaction-induced properties. The experimental and theoretical data in the literature is compared with our calculated values to examine the quality of this work. It is shown that our computed values in the supplementary materials are as accurate as the literature data at medium and high temperatures and are more reliable at low temperatures.     

Second virial coefficient in one dimension as a function of asymptotic quantities

A result from Dodd and Gibbs (J. Math. Phys., 15, 41 (1974)) for the second virial coefficient of particles in one dimension, subject to delta-function interactions, has been obtained by direct integration of the wave functions. It is shown that this result can be obtained from a phase shift formalism, if one also includes the contribution of oscillating terms. The result is important in work to follow, for the third virial coefficient, for which a similar formalism is being developed. We examine a number of fine points in the quantum mechanical formalisms.     

Sedimentation equilibria of ferrofluids: II. Experimental osmotic equations of state of magnetite colloids

The first experimental osmotic equation of state is reported for well-defined magnetic colloids that interact via a dipolar hard-sphere potential. The osmotic pressures are determined from the sedimentation equilibrium concentration profiles in ultrathin capillaries using a low-velocity analytical centrifuge, which is the subject of the accompanying paper I. The pressures of the magnetic colloids, measured accurately to values as low as a few pascals, obey Van 't Hoff's law at low concentrations, whereas at increasing colloid densities non-ideality appears in the form of a negative second virial coefficient. This virial coefficient corresponds to a dipolar coupling constant that agrees with the coupling constant obtained via independent magnetization measurements. The coupling constant manifests an attractive potential of mean force that is significant but yet not quite strong enough to induce dipolar chain formation. Our results disprove van der Waals-like phase behavior of dipolar particles for reasons that are explained.     

Thermodynamic properties of a two-dimensional square-well fluid

Analytic expressions for the thermodynamic properties of a classical two-dimensional square-well fluid and the first quantum correction to them are derived using the Barker-Henderson perturbation theory. Numerical results are reported. It is found that the quantum effect, which increases with increase of density, is largely determined by the hard-core and the attractive tail has a minor effect at high density.     

Transport Coefficients in Some Stochastic Models of the Revised Enskog Equation

A stochastic model of the revised Enskog equation is considered. A choice of the smearing function suggested by the work of Leegwater is used to apply the model to the repulsive part of the Lennard-Jones potential and the inverse-power soft-sphere potential. The virial coefficients obtained from the equilibrium properties of the models are in excellent agreement with the known exact coefficients for these models. The transport coefficients for the repulsive Lennard-Jones (RLP) model are also computed and appear to be of comparable accuracy to the Enskog-theory coefficients applied directly to a hard-sphere system, although exact results for the RLP with which to make an extensive comparison are not yet available. The pressure and the transport coefficients obtained from the model (shear viscosity, thermal conductivity, and self-diffusion) are compared with the pressure and the corresponding transport coefficients predicted by the Enskog and square-well kinetic theories.     

Interactions between isolated nucleosome core particles: A tail-bridging effect?

Interactions between isolated nucleosome core particles are studied as a function of the monovalent salt concentration by osmometry and by electrophoretic mobility measurements. The data are compared to the measurements performed on the protein-free DNA fragments and also analysed using the conventional theoretical approach. At low salt, an electrostatic screening effect accounts for the variation of the second virial coefficient whereas the simple hard-core contribution becomes predominant at high salt. In the intermediate range, an attraction occurs. In the light of previous results (Mangenot et al. Biophys. J. 82, 345 (2002)), we show that the flexible basic proteic tails are responsible for this attraction. A tail-bridging effect is discussed. Received 4 October 2001     

Analytical representation of the higher virial coefficients of binary mixtures of additive hard spheres

Approximate expressions for the fourth and fifth virial coefficients of binary hard-sphere fluid mixtures are derived. The procedure used to obtain these expressions is based on that previously proposed by Wheatley [J. chem. Phys., 111, 5455 (1999)], but slightly modified. Wheatley's procedure starts from a prescribed general analytical form of the virial coefficients, from which the particular expression for each virial coefficient is obtained by imposing to the general form a number of limiting conditions. Here, we propose an alternative general expression of the virial coefficients and derive one more condition. This condition is satisfied when the fourth and fifth virial coefficients are expressed in the form we propose, but not when they are expressed in Wheatley's form. The agreement of the proposed analytical expressions with exact numerical data is excellent. The procedure can be extended to higher virial coefficients, although the lack of exact numerical data prevents any comparison.     

Effective potential for ammonia vapour

The modified free-energy averaged potential for water vapour is extended to NH₃ vapour. The resulting temperature-dependent parameters are used to compute the second virial coefficient of NH₃ vapour which agrees with experimental results particularly at higher temperatures.