Modeling the physical properties of a homologous series on the melting temperatures and densities of n-alkanes and their simple alkyl-derivatives

Abstract

AbstractSeveral aspects of the melting temperatures (MT) of linear chain homologs are discussed. It is shown that with some reasonable modifications of Einstein's model of simple solids, the MT of n-alkanes and their derivatives can be successfully modeled. Results are compared with those obtained by previous authors who have used numerical methods and thermodynamics. Results of investigation of quadratic recurrence relations of the second order and forms including exponential functions are reported. Finally, the correlation of MT with density at T = 298.15 K gives the limiting value, 0.86 gcm-3 , at the temperature of nearly 420 K. It is expected that proper correlations should use densities of liquids just at the MT, because some available data suggest a linear dependence of MT on density. All results obtained are mutually consistent