A Study on YHB RDF via Density Dependent Pressure Calculation of Ethene Gas

Ethene 기체의 밀도변화에 따른 압력 계산에 의한 YHB 동경분포함수에 대한 연구

  • Yoon, Jong Ho (Dept. of Ind. Chem., College of Eng., Kyungil University) ;
  • Kim, Hae Won (Dept. of Ind. Chem., College of Eng., Kyungil University)
  • 윤종호 (경일대학교 공과대학 공업화학과) ;
  • 김해원 (경일대학교 공과대학 공업화학과)
  • Received : 1998.02.17
  • Accepted : 1998.05.18
  • Published : 1998.08.10


The radial distribution functions of a linear spheroidal type gas molecule $C_2H_4$ were calculated by using the Stockmayer molecular molel, which assumed the $C_2H_4$ molecule as simple quadrupolar molecule. To examine the validity of the calculated radial distribution of $C_2H_4$ gas, the density dependent pressures of $C_2H_4$ gas at several temperatures were calculated and compared with literarily known experimental pressure data of $C_2H_4$ gas. The temperatures examined was 50, 100 and $150^{\circ}C$ and the densities were up to $0.02/{\AA}^3$ (maximum pressure = 1500 atm). The radial distribution function expression used was derived by Yoon, Hacura, and Baglin (YHB) with Baker and Henderson's perturbation theory. The calculated results by a computer showed that the $C_2H_4$ pressures calculated agreed well with the experimental values within ${\pm}5%$ of error range. This indicated that the YHB radial distribution function expression is good enough to obtain various physical quantities sensitive to density such as pressure with resonable accuracy.


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