Modeling and simulation of equation of state for nonadditive hard disk mixtures |
| |
| Institution: | 1. Institute of Materials Research and Engineering (IMRE), A1STAR, 2 Fusionopolis Way, Innovis, #08-03, Singapore 138634;3. School of Materials Science and Engineering, Nanyang Technological University, 50 Nanyang Avenue, 639798, Singapore;1. South China Advanced Institute for Soft Matter Science and Technology, South China University of Technology, Guangzhou, 510640, China;2. Department of Chemical Engineering, National Tsing Hua University, Hsinchu, 30013, Taiwan;3. Department of Materials Science and Engineering, University of Ioannina, University Campus Ioannina, 45110, Greece;4. Helmholtz-Zentrum Geesthacht, Institute of Polymer Research, Max-Planck-Straße 1, 21502, Geesthacht, Germany |
| |
| Abstract: | We present exact results for mixtures of nonadditive hard disks and use some of them to derive a consistent model for the equation of state. We also performed molecular dynamics simulation for hard disks over a wide range of size ratios. Comparison of the model to the data shows that the model is accurate for all densities in the case of additive and slightly nonadditive (nonadditivity parameter within ±0.1) mixtures. For large nonadditivity, the model is accurate for low to moderate densities only, and starts to deteriorate at high densities. |
| |
| Keywords: | |
| 本文献已被 ScienceDirect 等数据库收录！ |
|
