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Second-order thermodynamic perturbation theory for the inverse patchy colloids
- Source :
- Journal of Molecular Liquids. 228:143-149
- Publication Year :
- 2017
- Publisher :
- Elsevier BV, 2017.
-
Abstract
- In this paper we propose extension of the second-order thermodynamic perturbation theory (TPT2) for the inverse patchy colloids (IPC) with arbitrary number of patches. The theory is used to study thermodynamical properties and liquid-gas phase behavior of the IPC model with one, two and three patches. To validate the accuracy of the TPT2 we compare theoretical predictions against corresponding results obtained by computer simulations. The theory is accurate for the one-patch version of the model at all values of the temperature and density studied and less accurate for two- and three-patch versions at lower temperature and higher density. Theoretical predictions for the critical temperature and density of the two- and three-patch IPC models are relatively accurate, however the overall shape of the theoretical phase diagram appears to be too narrow. No liquid-gas phase coexistence for the one-patch IPC model was found.
- Subjects :
- Physics
Inverse
02 engineering and technology
010402 general chemistry
021001 nanoscience & nanotechnology
Condensed Matter Physics
01 natural sciences
Atomic and Molecular Physics, and Optics
Lower temperature
0104 chemical sciences
Electronic, Optical and Magnetic Materials
Colloid
Phase (matter)
Materials Chemistry
Order (group theory)
Statistical physics
Physical and Theoretical Chemistry
Perturbation theory
0210 nano-technology
Spectroscopy
Phase diagram
Subjects
Details
- ISSN :
- 01677322
- Volume :
- 228
- Database :
- OpenAIRE
- Journal :
- Journal of Molecular Liquids
- Accession number :
- edsair.doi...........4bb512c0eb27fab8452060afdf036434
- Full Text :
- https://doi.org/10.1016/j.molliq.2016.09.081