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- Title
Analysis of phase transition, structural and dynamical properties of R290 using molecular dynamics simulation.
- Authors
Alam, Md. Sarwar; Jeong, Ji Hwan
- Abstract
Propane (R290), a hydrocarbon refrigerant, is an excellent choice of cooling fluids for use in refrigeration and air conditioning systems considering the environmental point of view and system performance. The phase transition phenomenon and structural and dynamic properties of R290 were analyzed through a molecular dynamics (MD) simulation. The densities, isobaric heat capacities and viscosities were computed and the variations of density, volume, potential energy and the nucleation process were examined to investigate the effects of condensation temperature on the phase transition rate. The mean square displacement and velocity autocorrelation function for different temperatures were simulated for dynamical analysis. Radial distribution functions were investigated to get insight into the structural analysis at the atomic level. Shear viscosity and isobaric heat capacity obtained by the present simulation showed a good agreement with the REFPROP data. The structural analysis revealed that the phase transition of R290 did not affect its intramolecular structure.
- Subjects
PHASE transitions; ISOBARIC heat capacity; AIR conditioning; RADIAL distribution function; TRANSITION temperature; MOLECULAR dynamics
- Publication
Journal of Mechanical Science & Technology, 2020, Vol 34, Issue 10, p4345
- ISSN
1738-494X
- Publication type
Article
- DOI
10.1007/s12206-020-0924-7