Models for self-diffusion coefficients of dense fluids, including hydrogen-bonding substances

• Type: Article in International Scientific Journal
• Date: 1998

Authors

Silva, CM (Author) Other; Liu, HQ (Author) Other; Maria Eugénia Macedo (Author) FEUP

Journal

Title: Chemical Engineering Science

Vol. 53

Pages: 2423-2429

ISSN: 0009-2509

Publisher: Elsevier

Indexing

ISI Web of Knowledge - 35 Citations

ISI Web of Science

Scopus - 40 Citations

COMPENDEX

Other information

Authenticus ID: P-001-7H7

DOI: 10.1016/s0009-2509(98)00037-2

Abstract (EN): This work comprises two main and independent purposes: (1) A new four-parameter model is proposed for the description of self-diffusion coefficients of polar, nonspherical and even hydrogen-bonding substances. It gives accurate results over wide ranges of temperature and pressure (AAD = 4.45%; 2471 data points). This equation is devised from an extension of a Lennard-Jones fluid model embodying the van der Waals model approach. (2) Generalized correlations are suggested for the estimation of the Lennard-Jones force constants (energy and diameter) of a two-parameter equation. From these it is possible to predict tracer diffusivities with satisfactory results, by means of simple combining rules.

Language: English

Type (Professor's evaluation): Scientific

No. of pages: 7