| 학회 | 한국화학공학회 |
| 학술대회 | 2009년 가을 (10/22 ~ 10/23, 일산 KINTEX) |
| 권호 | 15권 2호, p.2030 |
| 발표분야 | 열역학 |
| 제목 | Determination of Equation-of-State Parameters by Molecular Dynamics Simulations Combined with Quasi-chemical Nonrandom Lattice Fluid Model(QLF) |
| 초록 | Molecular dynamics simulations are used to determinate quasi-chemical nonrandom lattice fluid model(i.e., QLF)’s characteristic parameters P*, ρ*, T* of various substances. P*, ρ* are calculated by the cohesive energy density and density at 0 K, respectively. T* is determined by Boltzmann fitting. Lastly, estimated vapor pressure of various substances is compared with the experimental measurements. |
| 저자 | 임준혁, 장성현, 이용진, 김화용 |
| 소속 | 서울대 |
| 키워드 | Lattice; Molecular Simulation; QLF |
| 원문파일 | 초록 보기 |
