摘要:

By equating the appropriate scattering expressions, the structure factors (SF)SCC(0),SNC(0) andSNN(0) of a binaryA-Balloy with tendency to form associatesAμBν, (μ, ν small integers), are expressed in terms of the six SFSαβ1(0) of the ternary mixture ofA, BandAμBνand their concentrationsxα(α = 1, 2, 3). Whenxαsatisfy the equilibrium condition for the reaction μA+ νBAμBν, these relations become thermodynamic identities; otherwise they determineSCC(0) etc. for the nonequilibrium situations. The difference betweenSCC(0) etc., when there is equilibrium and when the chemical degree of freedom is frozen in, say, by quenching, is discussed. The relations between the aboveSCC(0) etc. and the corresponding SF for a strongly associating mixture in the “chemical” scheme (system regarded as a binary mixture ofAμBνandAorBatoms) are also obtained.

ISSN:0031-9104    

DOI:10.1080/00319108408080783

出版商:Taylor & Francis Group    

年代:1984

数据来源: Taylor

摘要:

A thermodynamic argument is used to show that all colligative properties of a substance 2 (solute) in a solution with a liquid substance 1 (solvent) differ from those of the pure condensed phase of solute precisely as if the internal tension between molecules of solute in the solution was increased by π2, the osmotic pressure of solute in the solution. It follows from this argument that molecules of solvent serve both to couple the molecules of solute and to enhance the tension in the coupling force between them by an amount π2. It may be inferred that pressure dependent chemical properties, like all partial molar quantities of the solute, are altered by this enhanced internal tension. A plausible mechanism is proposed by which the internal solute and solvent tensions are enhanced, as required by thermodynamic argument.

ISSN:0031-9104    

DOI:10.1080/00319108408080784

出版商:Taylor & Francis Group    

年代:1984

数据来源: Taylor

摘要:

The mean spherical approximation applied to a metal-molten salt interface is generalized to take further account of the local density profiles near the electrode. The temperature dependence of the differential capacitance is shown to arise, in large measure from such local structure. However, the hard wall assumption for the electrode is retained and this must be kept in mind in comparing our model results with experiment.

ISSN:0031-9104    

DOI:10.1080/00319108408080785

出版商:Taylor & Francis Group    

年代:1984

数据来源: Taylor

摘要:

Some facts are first presented for anion formation in three types of molecular liquids, classified according to molecular shape into (a) sphere-like, (b) flat, 2-dimensional-like, and (c) rod-like. These are then confronted with recent theoretical predictions about bound states in self-consistent potentials for neutral systems. It is concluded that the gross correlations predicted are in accord with the data: one-and two-dimensional molecules almost always lead to bound states (anions), while for sphere-like molecules the attractive potential must exceed a certain strength for bound states to form. It is recognized that for other than gross correlations, the nature of the bonding will have to be treated in detail. However, in cases (a) and (b) it is suggested that electron affinity should correlate grossly with the total number of valence electrons in the molecule. Finally, the reason why the electron affinity appears higher in the liquid than in gaseous state is attributed partly to hindered rotation, in addition to polarization effects.

ISSN:0031-9104    

DOI:10.1080/00319108408080786

出版商:Taylor & Francis Group    

年代:1984

数据来源: Taylor

摘要:

The direct correlation functionc(r)is divided into two parts, following the work of Kumaret al.One part,c(r)potential≡cp(r), contributes the entire compressibility and decays at largeras-(r)/KBT, with (r) the density independent pair potential. The definition ofcp(r) as–(r)/KBT{(1/6ρr2)∂2/∂ρ∂r[ρ2r3g(r)]{ is motivated by the condition of thermodynamic consistency, and for a hard core liquid leads tocp(r) small inside an atomic diameter.

ISSN:0031-9104    

DOI:10.1080/00319108408080787

出版商:Taylor & Francis Group    

年代:1984

数据来源: Taylor

摘要:

A simplified version of the WCA theory allows us to start from an observed structure factor and derive a core potential and gradient at an effective collision diameter. The quality of fit and internal consistency checks indicate that the method works for liquids of inert gases, certain simple metals and the noble metals. It is less accurate, although still useful, for transition metals and lanthanides. In the latter case, there is a peaking in core diameter at Eu(4f76s2) as the series is traversed. This has no counterpart in the transition metal series which shows a steady decrease (although with an anomalously small value for Cr(3d54s1)).

ISSN:0031-9104    

DOI:10.1080/00319108408080788

出版商:Taylor & Francis Group    

年代:1984

数据来源: Taylor

摘要:

In monatomic dense liquids, the condition that the pair functiong(r)vanishes atr= 0 is shown to lead to the approximate relation

ISSN:0031-9104    

DOI:10.1080/00319108408080789

出版商:Taylor & Francis Group    

年代:1984

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:10.1080/00319108408080782

出版商:Taylor & Francis Group    

年代:1984

数据来源: Taylor