In high-pressure dynamic thermodynamic processes, the pressure is much higher than the air critical pressure, and the temperature can deviate significantly from the Boyle temperature. In such situations, the thermo-physical properties and pneumatic performance can’t be described accurately by the ideal gas law. This paper proposes an approach to evaluate the pneumatic performance of a high-pres...

We determine the second and third virial coefficients B2 and B3 for the Gaussian charge polarizable model (GCPM) as a function of temperature over the range 210-723 K. The overlap sampling implementation of Mayer sampling molecular simulation is applied to calculate the values, obtaining results to a precision that ranges from 0.1% for B2 to an average of 1% for B3. These calculated values comp...

A five-dimensional potential energy surface (PES) for the interaction of a rigid methane molecule with a rigid nitrogen molecule was determined from quantum-chemical ab initio calculations. The counterpoise-corrected supermolecular approach at the CCSD(T) level of theory was utilized to compute a total of 743 points on the PES. The interaction energies were calculated using basis sets of up to ...

A set of physicochemical properties describing a protein of known structure is employed for a calibrative approach to protein solubility. Common hydrodynamic and electrophoretic properties routinely measured in the bio-analytical laboratory such as zeta potential, dipole moment, the second osmotic virial coefficient are first estimated in silico as a function a pH and solution ionic strength st...

Can nonspecifically bound divalent counterions induce attraction between DNA strands? Here, we present experimental evidence demonstrating attraction between short DNA strands mediated by Mg2+ ions. Solution small angle x-ray scattering data collected as a function of DNA concentration enable model independent extraction of the second virial coefficient. As the [Mg2+] increases, this coefficien...

We discuss the statistical mechanics of a two-dimensional gas of nonAbelian Chern-Simons particles which obey the non-Abelian braid statistics. The second virial coefficient is evaluated in the framework of the non-Abelian Chern-Simons quantum mechanics. PACS numbers: 03.65.Bz, 05.30.-d Typeset using REVTEX 1 One of the novel features of anyons [1] is that their thermodynamic character as well ...

In the present work, we have examined the ability of some different equations of state in predicting the Joule-Thomson coefficient, ?J-T, of different fluids. For dense fluids, for which density is greater than the Boyle density, ?B, two appropriate equations of state, namely the linear isotherm regularity, LIR, and the dense system equation of state, DSEOS, have been examined. The results show...

a second virial coefficient correlation suitable for two different temperatures ranges, (t*)-2£180 and (t*)-2>180, where t* is rt/dhvap is presented. the equation of state can be calculated for different, complicated non-polar, and slightly polar liquid mixtures at any temperature over the range from ttp to tc and up to high pressures. the latent heat of vaporization and density at the triple p...

Using a high temperature virial expansion, we present a controllable study of the thermodynamics of strongly correlated Fermi gases near the BEC-BCS crossover region. We propose a practical way to determine the expansion coefficients for both harmonically trapped and homogeneous cases, and calculate the third order coefficient b{3}(T) at finite temperatures T. At resonance, a T-independent coef...