摘要:

Isobaric vapour-liquid equilibrium data at 40.0 and 101.3 kPa for the binary systems 1,3-dichloropropane with 1-butanol, 2-butanol, 2-methyl-1-propanol and 2-methyl-2-propanol are reported. Some of the studied systems present azeotropes. The activity coefficients were found to be thermodynamically consist-ent, and they were satisfactorily correlated with the Margules, Van Laar, Wilson, NRTL and UNIQUAC equations.

ISSN:0031-9104    

DOI:10.1080/00319109508028419

出版商:Taylor & Francis Group    

年代:1995

数据来源: Taylor

摘要:

Melting point temperatures of select polychloronaphthalenes (PCNs) and polychlorophenanthrenes (PCPs) are compiled from the published chemical literature for use in conjunction with recently derived expressions for predicting the aqueous solubilities of halogenated aromatic compounds. Experimental melting temperatures of PCNs and PCPs are used to assess the applications and limitations of a published functional group contribution melting temperatures estimational method.

ISSN:0031-9104    

DOI:10.1080/00319109508028420

出版商:Taylor & Francis Group    

年代:1995

数据来源: Taylor

摘要:

The optimization of the geometry and characteristics of the hydrogen bonds in clusters formed by molecules in the formamide (F)-1-propanol (PrOH) mixtures by means of the semiempirical quantum chemical method (MOPAC 6.0) have been carried out.

ISSN:0031-9104    

DOI:10.1080/00319109508028421

出版商:Taylor & Francis Group    

年代:1995

数据来源: Taylor

摘要:

We present investigations of the dynamical properties of liquid polyvalent metals and semimetals (with liquid Ge and As chosen as examples). The static liquid structure is calculated via molecular dynamics, based on exact interatomic forces from pseudopotential perturbation theory. The dynamical structure factor is calculated in a viscoelastic approximation. The static structure factorS(k)of the polyvalent elements is characterized by a side-peak or shoulder to the main peak atk= Qp. The side-peak is situated atk= 2kFwherekFis the Fermi wavenumber. This shows that the structural anomaly is of electronic origin and may be interpreted in terms of a Peierls-like modulation of the packing of the atoms by the Friedel-oscillations in the interatomic forces. We demonstrate that the electronic effects also modify the dynamical structure factor and the dispersion relations of collective excitations and induce a modesoftening analogous to a Kohn-anomaly.

ISSN:0031-9104    

DOI:10.1080/00319109508028422

出版商:Taylor & Francis Group    

年代:1995

数据来源: Taylor

摘要:

Liquid-vapor coexistence curves for selected group IA and IIA metals are calculated. The Gibbs-Bogoljubov variational method is used to find a least upper bound to the Helmholtz energy of the liquid phase. The hard sphere liquid is chosen to represent the structure of the metal melt, and the empty-core pseudopotential is chosen to the model the potential energy of interaction in the liquid phase. The vapor phase is modeled as an ideal gas mixture of monomers and dimers, with the distribution of mole fractions determined by the canonical ensemble partition function. Parameters are chosen that model coexistence properties between the melting temperature and the boiling temperature of the liquid metals. Good results are obtained for representative group IA and group IIA metals.

ISSN:0031-9104    

DOI:10.1080/00319109508028423

出版商:Taylor & Francis Group    

年代:1995

数据来源: Taylor

摘要:

The important features of the Gothard model are discussed and simple procedures are proposed for calculating the adjustable parameters of the model. The possibilities of the model for predicting phase separation are analyzed.

ISSN:0031-9104    

DOI:10.1080/00319109508028424

出版商:Taylor & Francis Group    

年代:1995

数据来源: Taylor

摘要:

A simple thermodynamic approach is considered to investigate the temperature dependence of the chemical diffusion coefficient in binary liquid alloys exhibiting miscibility gaps. Application is made to Bi-Zn, Cd-Ga and Al-In which show non Arrhenius behaviour which is significantly marked in the critical region.

ISSN:0031-9104    

DOI:10.1080/00319109508028425

出版商:Taylor & Francis Group    

年代:1995

数据来源: Taylor

摘要:

To take account of the known structure of expanded heavy alkali metals, a coordination number-dependent equation of state is set up. It is then shown that the critical constantsTcandVcare related byTcVc1/3= constant, while the compressibility ratio is no longer constant through the alkali series, as required by experiment.

ISSN:0031-9104    

DOI:10.1080/00319109508028426

出版商:Taylor & Francis Group    

年代:1995

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:10.1080/00319109508028418

出版商:Taylor & Francis Group    

年代:1995

数据来源: Taylor