A Density Dependent Study on YHB RDF of Gaseous CO Molecule

밀도변화에 따른 CO기체 분자으I YHB 동경분포함수에 대한 연구

  • Yoon, Jong Ho (Department of Industry Chemical, College of Engineering, Kyungil University) ;
  • Kim, Hae Won (Department of Industry Chemical, College of Engineering, Kyungil University)
  • 윤종호 (경일대학교 공과대학 공업화학과) ;
  • 김해원 (경일대학교 공과대학 공업화학과)
  • Received : 1999.02.03
  • Accepted : 1999.03.31
  • Published : 1999.05.10

Abstract

The YHB radial distribution functions of a linear gas molecule CO were calculated by a computer within the Stockmayer molecular potential molel, which assumed thc CO molecule as a simple dipolar molecule. To examine the validity of the obtained YHB radial distribution of CO gas molecule, the density dependent pressures of CO at several temperatures were also calculated. The calculated pressures showed a good agreement with literially known experimental CO pressure data. The temperatures examined were 273, 298, and 373 K and the densities were up to $0.013/{\AA}^3$ (maximum pressure = 1000 atm). Since the calculated pressures showed a good agreement with the experimental values, the obtained YHB radial distribution functions of CO molecule seemed good enough to obtain and predict various equilibrium physical and chemical quantities of CO molecule sensitive to density such as pressure. It was also found that in CO gas system the dipole-dipole interaction is effective up to approximately 2.5 molecular diameter.

Keywords

CO;Radial Distribution Function;Dipole-dipole Interaction;Pressure

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