화학공학소재연구정보센터
Chemistry Letters, Vol.30, No.4, 292-293, 2001
Temperature and density dependences of the dynamics of liquid n-pentane studied by molecular dynamics simulation
In order to elucidate the temperature and density dependences of the power spectra of the velocity autocorrelation functions, molecular dynamics simulation of liquid n-pentane has been carried out. Strong temperature dependence is observed in the frequencies lower than similar to 20 cm(-1), while the variation of the density makes significant effect in the whole spectral region where low-frequency phonon modes of liquids are expected to appear.