화학공학소재연구정보센터
Fluid Phase Equilibria, Vol.210, No.2, 287-306, 2003
Experimental study and modelling using the ERAS-model of the excess molar volume of acetonitrile-alkanol mixtures at different temperatures and atmospheric pressure
Densities of {(1 - x)CH3 (CH2)n(-1)OH + xCH(3)CN} for n = 1, 2, 3 or 4 have been determined as a function of composition at 288.15, 293.15, 298.15 and 303.15 K at atmospheric pressure using a vibrating-tube densimeter (Anton Paar DMA 4500, resolution 1 X 10(-5) g cm(-3)). Excess molar volumes were calculated. The V-m(E) values were negative for acetonitrile-methanol mixtures and sigmoid for acetonitrile-alkanols (C-2-C-4) mixtures over the complete mole fraction range. V-m(E) values increase in a positive direction with increase in chain length of the alkanols and with the temperature. The Extended Real Associated Solution Model (ERAS-Model) calculations allowing for self-association for the alkanols and complex formation between acetonitrile and alkanols have been used to correlate experimental data. The model is able to reproduce the asymmetrical V-m(E) behavior of the studied systems, although agreement between theoretical and experimental values is less satisfactory for some concentration ranges. (C) 2003 Elsevier Science B.V. All rights reserved.