Published January 24, 2011 | Version v1
Journal article

Liquid-liquid equilibria for ternary polymer mixtures

  • 1. Division of Chemical Engineering and Molecular Thermodynamics Laboratory, Hanyang University, Seoul 133-791 (Korea, Republic of)

Description

Graphical abstract: We developed a molecular thermodynamic model for multicomponent systems and discribed the phase equilibrium for ternary polymer mixtures by using the model parameters obtained from the binary systems. Research highlights: → Model parameters were obtained from the binary systems. → The obtained parameters were directly used to predict the ternary data. → The undetermined parameters were used to correlate the ternary data. → The proposed model agreed well with the experimental data. - Abstract: A molecular thermodynamic model for multicomponent systems based on a closed-packed lattice model is presented based on two contributions; entropy and energy contribution. The calculated liquid-liquid equilibria of ternary chainlike mixtures agreed with Monte Carlo simulation results. The proposed model can satisfactorily predict Types 0, 1, 2 and 3 phase separations of the Treybal classification. The model parameters obtained from the binary systems were used to directly predict real ternary systems and the calculated results correlated well with experimental data using few adjustable parameters. Specific interactions in associated binary systems were considered using a secondary lattice.

Availability note (English)

Available from http://dx.doi.org/10.1016/j.chemphys.2010.12.002

Additional details

Identifiers

DOI
10.1016/j.chemphys.2010.12.002;
PII
S0301-0104(10)00525-2;

Publishing Information

Journal Title
Chemical Physics
Journal Volume
379
Journal Issue
1-3
Journal Page Range
p. 128-133
ISSN
0301-0104
CODEN
CMPHC2

INIS

Country of Publication
Netherlands
Country of Input or Organization
International Atomic Energy Agency (IAEA)
INIS RN
44012846
Subject category
S74: ATOMIC AND MOLECULAR PHYSICS;
Descriptors DEI
CLASSIFICATION; COMPUTERIZED SIMULATION; ENTROPY; EQUILIBRIUM; INTERACTIONS; LIQUIDS; MIXTURES; MONTE CARLO METHOD; POLYMERS; THERMODYNAMIC MODEL
Descriptors DEC
CALCULATION METHODS; DISPERSIONS; FLUIDS; MATHEMATICAL MODELS; PARTICLE MODELS; PHYSICAL PROPERTIES; SIMULATION; STATISTICAL MODELS; THERMODYNAMIC PROPERTIES

Optional Information

Copyright
Copyright (c) 2010 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.