The energy of interaction between two hydrogen atoms by the Gaussian-type functions

Energy of interaction between two hydrogen atoms in their ground states described by Gauss-type function

Determination of the Concentration of Gases by Measurement of Pressure

For the determination of the concentration of gases by means of pressure measurement, a precise equation of state is given by which analysis can be carried out within an accuracy of 10 ppm. The parameters of the equation of state are explicitely reported for carbon dioxide, argon, and helium

An Appraisal of FOPIM Fast-converging Perturbation Method

Appraisal of first order perturbation iteration fast converging metho

Path-integral calculation of the third virial coefficient of quantum gases at low temperatures

We derive path-integral expressions for the second and third virial coefficients of monatomic quantum gases. Unlike previous work that considered only Boltzmann statistics, we include exchange effects (Bose-Einstein or Fermi-Dirac statistics). We use state-of-the-art pair and three-body potentials to calculate the third virial coefficient of 3He and 4He in the temperature range 2.6-24.5561 K. We obtain uncertainties smaller than those of the limited experimental data. Inclusion of exchange effects is necessary to obtain accurate results below about 7 K.Comment: The following article has been accepted by The Journal of Chemical Physics. After it is published, it will be found at http://jcp.aip.org/ Version 2 includes the corrections detailed in the Erratu

On the thermodynamic stability and structural transition of clathrate hydrates

Gas mixtures of methane and ethane form structure II clathrate hydrates despite the fact that each of pure methane and pure ethane gases forms the structure I hydrate. Optimization of the interaction potential parameters for methane and ethane is attempted so as to reproduce the dissociation pressures of each simple hydrate containing either methane or ethane alone. An account for the structural transitions between type I and type II hydrates upon changing the mole fraction of the gas mixture is given on the basis of the van der Waals and Platteeuw theory with these optimized potentials. Cage occupancies of the two kinds of hydrates are also calculated as functions of the mole fraction at the dissociation pressure and at a fixed pressure well above the dissociation pressure

Temperature Profiles in Hamiltonian Heat Conduction

We study heat transport in the context of Hamiltonian and related stochastic models with nearest-neighbor coupling, and derive a universal law for the temperature profiles of a large class of such models. This law contains a parameter $\alpha$, and is linear only when $\alpha=1$. The value of $\alpha$ depends on energy-exchange mechanisms, including the range of motion of tracer particles and their times of flight.Comment: Revised text, same results Second revisio

Upper and lower bounds on the mean square radius and criteria for occurrence of quantum halo states

In the context of non-relativistic quantum mechanics, we obtain several upper and lower limits on the mean square radius applicable to systems composed by two-body bound by a central potential. A lower limit on the mean square radius is used to obtain a simple criteria for the occurrence of S-wave quantum halo sates.Comment: 12 pages, 2 figure

Diffusive counter dispersion of mass in bubbly media

We consider a liquid bearing gas bubbles in a porous medium. When gas bubbles are immovably trapped in a porous matrix by surface-tension forces, the dominant mechanism of transfer of gas mass becomes the diffusion of gas molecules through the liquid. Essentially, the gas solution is in local thermodynamic equilibrium with vapor phase all over the system, i.e., the solute concentration equals the solubility. When temperature and/or pressure gradients are applied, diffusion fluxes appear and these fluxes are faithfully determined by the temperature and pressure fields, not by the local solute concentration, which is enslaved by the former. We derive the equations governing such systems, accounting for thermodiffusion and gravitational segregation effects which are shown not to be neglected for geological systems---marine sediments, terrestrial aquifers, etc. The results are applied for the treatment of non-high-pressure systems and real geological systems bearing methane or carbon dioxide, where we find a potential possibility of the formation of gaseous horizons deep below a porous medium surface. The reported effects are of particular importance for natural methane hydrate deposits and the problem of burial of industrial production of carbon dioxide in deep aquifers.Comment: 10 pages, 5 figures, 1 table, Physical Review

A diagrammatic formulation of the kinetic theory of fluctuations in equilibrium classical fluids. VI. Binary collision approximations for the memory function for self correlation functions

We use computer simulation results for a dense Lennard-Jones fluid for a range of temperatures to test the accuracy of various binary collision approximations for the memory function for density fluctuations in liquids. The approximations tested include the moderate density approximation of the generalized Boltzmann-Enskog memory function (MGBE) of Mazenko and Yip, the binary collision approximation (BCA) and the short time approximation (STA) of Ranganathan and Andersen, and various other approximations derived by us using diagrammatic methods. The tests are of twotypes. The first is a comparison of the correlation functions predicted by each approximate memory function with the simulation results, especially for the self longitudinal current correlation function (SLCC). The second is a direct comparison of each approximate memory function with a memory function numerically extracted from the correlation function data. The MGBE memory function is accurate at short times but decays to zero too slowly and gives a poor description of the correlation function at intermediate times. The BCA is exact at zero time, but it predicts a correlation function that diverges at long times. The STA gives a reasonable description of the SLCC but does not predict the correct temperature dependence of the negative dip in the function that is associated with caging at low temperatures. None of the other binary collision approximations is a systematic improvement upon the STA. The extracted memory functions have a rapidly decaying short time part, much like the STA, and a much smaller, more slowly decaying part of the type predicted by mode coupling theory. Theories that use mode coupling commonly include a binary collision term in the memory function but do not discuss in detail the nature of that term. ...Comment: 18 pages, 10 figure

On the Maxwell-Stefan approach to multicomponent diffusion

We consider the system of Maxwell-Stefan equations which describe multicomponent diffusive fluxes in non-dilute solutions or gas mixtures. We apply the Perron-Frobenius theorem to the irreducible and quasi-positive matrix which governs the flux-force relations and are able to show normal ellipticity of the associated multicomponent diffusion operator. This provides local-in-time wellposedness of the Maxwell-Stefan multicomponent diffusion system in the isobaric, isothermal case.Comment: Based on a talk given at the Conference on Nonlinear Parabolic Problems in Bedlewo, Mai 200