نتایج جستجو برای: virial coefficients

تعداد نتایج: 107507  

Journal: :Journal of Chemical & Engineering Data 2009

1992
Kenneth R. Hall G. Ali Mansoori

Hall, K.R., Iglesias-Silva, G.A. and Mansoori, G.A., 1993. Quadratic mixing rules for equations of state. Origins and relationships to the virial expansion. Fluid Phase Equilibria, 91: 67-76. Quadratic mixing rules, originally proposed by van der Waals, are used extensively in mixture calculations involving equations of state. Several ways exist to derive such mixing rules from the principles o...

2007
J. Blouwolff S. Fraden

Many soluble proteins crystallize in conditions where their second virial coefficient takes on slightly negative values, known as the crystallization slot, allowing the possibility to screen for crystallizability by measuring virial coefficients. Here we measure virial coefficients for the membrane protein CLC-ec1, which has been crystallized. These virial coefficients reveal that CLC-ec1 cryst...

2009
Jayant K. Singh

We used Mayer sampling technique—a method based on free energy perturbation, to calculate virial coefficients B2–B6 for hard-core Yukawa fluids with interaction range parameter, =1.8, 3.0, 4.0, 5.0, 8.0, 9.0, and 10. We used these coefficients in the virial equation of state (VEOS) to obtain compressibility vailable online 28 June 2009

1999
John G. Loeser Zheng Zhen Dudley R. Herschbach

We examine the dependence on spatial dimension D of the Mayer cluster integrals that determine the virial coefficients B, for a fluid of rigid hyperspheres. The integrals vary smoothly with D, and can be characterized analytically in both the low-D and high-D limits. Dimensional interpolation (DI) allows one to evaluate individual Mayer cluster integrals at D = 2 and D = 3 to within about 1%. T...

2014
Leslie V. Woodcock

A correlation between maxima in virial coefficients (Bn), and “kissing” numbers for hard hyper-spheres up to dimension D = 5, indicates a virial equation and close-packing relationship. Known virial coefficients up to B7, both for hard parallel cubes and squares, indicate that the limiting differences Bn – B(n-1) behave similar to spheres and disks, in the respective expansions relative to maxi...

A revised analysis of the effect of long-range nonspherical terms in the intermolecular potential on the second virial coefficient is presented with a preferred Hartree-Fock-Dispersion functional (HFD-C) spherical core treatment of the integrations for small intermolecular distances. A set of modified numerical tables for the accurate calculation of the nonspherical contribution to the sec...

Journal: :Biophysical journal 1998
O D Velev E W Kaler A M Lenhoff

The effects of pH and electrolyte concentration on protein-protein interactions in lysozyme and chymotrypsinogen solutions were investigated by static light scattering (SLS) and small-angle neutron scattering (SANS). Very good agreement between the values of the virial coefficients measured by SLS and SANS was obtained without use of adjustable parameters. At low electrolyte concentration, the ...

1997
Anders Kristoffersen Stefan Mashkevich

We have computed by a Monte Carlo method the fourth virial coefficient of free anyons, as a function of the statistics angle θ. It can be fitted by a four term Fourier series, in which two coefficients are fixed by the known perturbative results at the boson and fermion points. We compute partition functions by means of path integrals, which we represent diagrammatically in such a way that the ...

Journal: :The Journal of Chemical Physics 2005

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