Liquid-liquid equilibria for ternary polymer mixtures
Creators
- 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.2010.12.002Additional 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.