摘要:

We have solved the Ornstein-Zernike equation with the Percus-Yevick closure for soft spherocylinders interacting through either a soft repulsive potential or a Kihara one. The used algorithm is the same we presented before in a previous paper for hard spherocylinders. Structural properties and a complete study of the behaviour of the pair correlation function with the orientation, density and elongation of the systems are presented. The pair correlation function directly obtained subsequently allows the few first coefficients of the expansion in spherical harmonics to be obtained and we have performed Monte Carlo simulation to compare them and make a check of the adequacy of the Percus-Yevick equation for these systems. Also thermodynamic properties such as the equation of state and internal energy have been calculated and we have compared some of these values with available simulation results. The conclusion is similar to that for hard spherocylinders: namely that the Percus-Yevick closure does not represent the orientational part of the pair correlation function very well for all the system studied. However, in obtaining the thermodynamic properties these errors are compensated, and the accuracy obtained is good.

ISSN:0031-9104    

DOI:10.1080/00319109108030628

出版商:Taylor & Francis Group    

年代:1991

数据来源: Taylor

摘要:

Excess molar volumes (VE), excess viscosities (ηE) and excess energies of activation for viscous flow (δG*E) have been obtained for the 1,1,1-trichloroethane + alcohols systems at 298.15 K, over the whole concentration range. The Prigogine-Flory-Patterson model of solution thermodynamics has been used to predict the excess molar volumes. McAllister, Teja and Rice and Schrodt and Akel models have been used to predict viscosity coefficients and these were compared with experimental data, for the mixtures.

ISSN:0031-9104    

DOI:10.1080/00319109108030629

出版商:Taylor & Francis Group    

年代:1991

数据来源: Taylor

摘要:

Experimental solubilities are reported for carbazole dissolved in binary mixtures containing tetrahydropyran withn-hexane,n-heptane, clyclohexane, isooctane,n-hexadecane andt-butylcyclohexane at 25°C. Results of these measurements, along with published carbazole solubilities in ten alkane + dibutyl ether mixtures, are used to test two mathematical representations based upon the combined Nearly Ideal Binary Solvent (NIBS)/Redlich-Kister equations and Modified Wilson model. For the systems studied, the Modified Wilson equation is found to be the better two-parameter mathematical representation with deviations between experimental and back-calculated values being on the order of ± 3% or less. The NIBS/Redlich-Kister representation requires up to four adjustable “curve-fit” parameters to describe the solubility data.

ISSN:0031-9104    

DOI:10.1080/00319109108030630

出版商:Taylor & Francis Group    

年代:1991

数据来源: Taylor

摘要:

The problem of electronic transport in expanded alkali metals is explored in detail—with particular reference to rubidium. One objective is to assess the extent to which the self-consistent inclusion of a mean free path for electron-ion scattering into a formulation for electron transport, based upon the force-force correlation approach, could account for the observed resistivity of expanded liquid rubidium, at thermodynamic states near to the liquid-vapour coexistence curve. The results presented indicate that the self-consistent approach gives the same general trend with density as the traditional Bhatia-Krishnan-Ziman formula. Though the latter gives quantitatively better agreement with experiment, both theories fail as the critical point is approached as they are weak scattering treatments. At higher densities the need for an accurate description of the large wave number components of the pseudopotential emerges.

ISSN:0031-9104    

DOI:10.1080/00319109108030631

出版商:Taylor & Francis Group    

年代:1991

数据来源: Taylor

摘要:

Excess internal pressure, cohesive energy density, isothermal compressibility, heat capacity and volumes of the binary systemn-hexane + toluene have been determined at 298.15 and 313.15 K. Using the excess volume data, other excess properties have been predicted on the basis of the statistical thermodynamical theory due to Flory. The theory provides a reasonable correlation of the results.

ISSN:0031-9104    

DOI:10.1080/00319109108030632

出版商:Taylor & Francis Group    

年代:1991

数据来源: Taylor

摘要:

A way of characterizing an aqueous solution within a cell surrounded by membrane is discussed. As an example, a preliminary experiment involving supercooling and freezing of water extracellularly is summarized, on normal plant cells. Reasons are given for supposing that such an experiment could, at least in principle, distinguish normal and cancerous cells.

ISSN:0031-9104    

DOI:10.1080/00319109108030633

出版商:Taylor & Francis Group    

年代:1991

数据来源: Taylor

摘要:

This is a scanned image of the original Editorial Board page(s) for this issue.

ISSN:0031-9104    

DOI:10.1080/00319109108030627

出版商:Taylor & Francis Group    

年代:1991

数据来源: Taylor