화학공학소재연구정보센터
Fluid Phase Equilibria, Vol.190, No.1-2, 103-111, 2001
The extension of coordination number model by using the local composition theory: mixtures
The extension of a new coordination number model to mixture is presented in this work. Extended model agrees well with the Monte Carlo (MC) simulation results for square-well (SW) mixture fluids and shows better results compared with other models. To test our model, we compare the compressibility factors from various models for SW fluids at different gimel values and for SW fluid mixtures at gimel = 1.5. Although our model is obtained by fitting simulation data at gimel = 1.5, it shows better results for the different gimel values than other coordination number model. Compared with the compressibility factors of various binary mixtures of SW fluids calculated from other models, this model presents better results. Because our model considers the temperature dependency importantly by using the total site number, it predicts coordination number and compressibility factor well in the wide temperature range and enables one to derive an equation of state (EOS) through integration of the coordination number equation.