摘要:

Excess molar volumes of binary chlorobenzene + 1,1-oxybisbutane, chlorobenzene +n-heptane, chlorobenze + 2,2,4-trimethylpentane, chlorobenzene + cyclohexane and chlorobenzene +n-octane mixtures have been measured at 298.15 K. For the first three systems,VEmis negative throughout the entire concentration range.VEmis positive for the chlorobenzene + cyclohexane system, and both positive and negative for mixtures containing chlorobenzene andn-octane depending upon mole fraction composition.

ISSN:0031-9104    

DOI:10.1080/00319109208027281

出版商:Taylor & Francis Group    

年代:1992

数据来源: Taylor

摘要:

The conductometric studies of the solutions of samarium valerate and caproate in methanol and in a mixture of water and methanol in presence of electrolytes (uni-, bi- and tri-valent) and non-electrolytes were used to evaluate the critical micelle concentration (CMC) and the free energy change for the micellization process. The CMC was found to decrease with increasing ionic radii of counterions. The results suggest that these soaps behave as weak electrolytes in dilute solutions below the CMC.

ISSN:0031-9104    

DOI:10.1080/00319109208027282

出版商:Taylor & Francis Group    

年代:1992

数据来源: Taylor

摘要:

Density, viscosity and surface tension of two binary liquid systems: methanol + toluene, and methanol + p-xylene, have been determined at 20, 25, 35 and 45°C, over the whole compositional range. The excess values of molar volume, viscosity, Gibbs free energy for the activation of flow and surface tension were evaluated. The Grunberg–Nissan parameter was also calculated. The excess values were fitted to Redlich–Kister type of equation. The viscosity data were fitted to the models of McAllister, Heric and third degree polynomial.

ISSN:0031-9104    

DOI:10.1080/00319109208027283

出版商:Taylor & Francis Group    

年代:1992

数据来源: Taylor

摘要:

With an improved six-centre Lennard–Jones pair potential the recently started molecular dynamics (MD) investigation of rotator phases in cyclohexane was extended. The phase transition from the liquid to the plastic phase of fee structure (solid I) could be more precisely determined and analyzed in terms of time correlation functions. The transition from the solid I to the low-temperature solid phase II could also be observed. Both transitions occur at thermodynamic conditions, which are in good agreement with experimental findings. This seems to be a good indication of the applicability of the present potential model. In order to study in detail the rotations around the symmetry-axes C2 and C3 of the molecules, suitable angle-distributions for nearest neighbour molecule pairs have been determined. The results show that relatively small changes of the rotational dynamics occur for the liquid-plastic transition, while the solid I–solid II transition is accompanied by strong alterations of the rotational behaviour. In particular, our findings contrast with accepted experimental evidence for the fact that rotations around the C3-axis are less hindered than those around the C2-axis in solid I phase.

ISSN:0031-9104    

DOI:10.1080/00319109208027284

出版商:Taylor & Francis Group    

年代:1992

数据来源: Taylor

摘要:

An approximate relation between the Pauli potential and the Pauli energy density is derived. A further simpler approximation is used to obtain the kinetic energy.

ISSN:0031-9104    

DOI:10.1080/00319109208027285

出版商:Taylor & Francis Group    

年代:1992

数据来源: Taylor

摘要:

March and Santamaria have recently proposed non-local generalizations of kinetic and exchange energy densities of an inhomogeneous electron liquid and have related these through restricted Hartree–Fock theory. Prompted further by the work of Lee, Lee and Parr, the above results are generalized to include the unrestricted Hartree–Fock theory. Finally, approximations of the type required to relate to the work of Leeet. al.are referred to.

ISSN:0031-9104    

DOI:10.1080/00319109208027286

出版商:Taylor & Francis Group    

年代:1992

数据来源: Taylor

摘要:

Experimental solubilities are reported for anthracene dissolved in three binary mixtures containing dimethyl adipate with cyclohexane, methylcyclohexane andn-heptane, and in six solvent mixtures containing dibutyl oxalate withn-hexane,n-heptane,n-octane, cyclohexane, methylcyclohexane and isooctane at 25°C. Results of these measurements 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 combined NIBS/Redlich-Kister equation was found to provide the better mathematical representation with deviations between experimental and back-calculated values being on the order of ± 3% or less.

ISSN:0031-9104    

DOI:10.1080/00319109208027287

出版商:Taylor & Francis Group    

年代:1992

数据来源: Taylor

摘要:

The difference between the pair potential ϕ(r) and the potential of mean forceU(r) is studied carefully in molten Na near freezing. Beyond some 4–5 Å the three-body term strongly cancels withU(r), leaving ϕ(r) pretty small. Current approximate theories of liquid structure do not handle this cancellation well. Some improvements are therefore proposed.

ISSN:0031-9104    

DOI:10.1080/00319109208027288

出版商:Taylor & Francis Group    

年代:1992

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:10.1080/00319109208027280

出版商:Taylor & Francis Group    

年代:1992

数据来源: Taylor