The MesoDyn project: software for mesoscale chemical engineering

We describe a new class of phenomenological mesoscopic models to simulate the phase separation dynamics in three dimensional complex liquids, based on dynamic density functional methods. These models are generalizations of time-dependent Ginzburg–Landau models and contain a molecular description of...

Full description

Saved in:
Bibliographic Details
Published in:Journal of molecular structure. Theochem 1999-04, Vol.463 (1), p.139-143
Main Authors: Altevogt, P, Evers, O.A, Fraaije, J.G.E.M, Maurits, N.M, van Vlimmeren, B.A.C
Format: Article
Language:English
Subjects:
Mesoscale structures
Modeling
Software
Citations: Items that cite this one
Online Access:Get full text
Tags: Add Tag
No Tags, Be the first to tag this record!
Description
Summary:We describe a new class of phenomenological mesoscopic models to simulate the phase separation dynamics in three dimensional complex liquids, based on dynamic density functional methods. These models are generalizations of time-dependent Ginzburg–Landau models and contain a molecular description of the liquids in the free energy functional. Possible applications are in process industries (HIPS, paints, detergents, surfactants,…), petroleum industries (oil recovery), pharmaceutical industries (drug delivery) and consumer product industries (food processing, cosmetics). We show the results of the simulation of the microphase behaviour of aqueous PL64 solutions. The work described here was mainly done within ESPRIT research projects funded by the European Union.
ISSN:0166-1280
1872-7999
DOI:10.1016/S0166-1280(98)00403-5