Back to Search
Start Over
Integral equation and thermodynamic perturbation theory for a two-dimensional model of chain-forming fluid
- Source :
- Journal of molecular liquids. 238
- Publication Year :
- 2017
-
Abstract
- In this paper we applied analytical theories for the two dimensional chain-forming fluid. Wertheims thermodynamic perturbation theory (TPT) and integral equation theory (IET) for associative liquids were used to study thermodynamical and structural properties of the chain-forming model. The model has polymerizing points at arbitrary position from center of the particles. Calculated analytical results were tested against corresponding results obtained by Monte Carlo computer simulations to check the accuracy of the theories. The theories are accurate for the different positions of patches of the model at all values of the temperature and density studied. The IET’s pair correlation functions of the model agree well with computer simulations. Both TPT and IET are in good agreement with the Monte Carlo values of the energy, chemical potential and ratios of free, once and twice bonded particles.
- Subjects :
- Materials Chemistry
02 engineering and technology
Physical and Theoretical Chemistry
010402 general chemistry
021001 nanoscience & nanotechnology
0210 nano-technology
Condensed Matter Physics
01 natural sciences
Spectroscopy
Atomic and Molecular Physics, and Optics
Article
0104 chemical sciences
Electronic, Optical and Magnetic Materials
Subjects
Details
- ISSN :
- 01677322
- Volume :
- 238
- Database :
- OpenAIRE
- Journal :
- Journal of molecular liquids
- Accession number :
- edsair.doi.dedup.....797bf3a9ca7571a5fc95974256c0a3f5