CALORIMETRIC STUDY OF NITRO-GROUP INTERACTIONS IN ALKANE SOLUTIONS - COMPARISON WITH DISQUAC PREDICTIONS

被引:11
|
作者
MARONGIU, B [1 ]
PORCEDDA, S [1 ]
KEHIAIAN, HV [1 ]
机构
[1] UNIV PARIS 07,CNRS,INST TOPOL & DYNAM SYST,F-75221 PARIS 05,FRANCE
关键词
DATA; EXCESS ENTHALPY; GROUP CONTRIBUTION; POLAR; MIXTURES;
D O I
10.1016/0378-3812(93)85021-D
中图分类号
O414.1 [热力学];
学科分类号
摘要
A flow microcalorimeter, Model 2277-LKB, has been used to determine the excess enthalpies, H(E), as a function of concentration at atmospheric pressure and 298.15 K for binary liquid mixtures containing 1-nitropropane, 1-nitrobutane or 1-nitropentane with heptane or cyclohexane. These H(E) data, along with literature data on vapor-liquid equilibrium, H(E) liquid-liquid equilibrium, activity coefficients and partial molar excess enthalpies at infinite dilution for 1- or 2-nitroalkanes and excess heat capacities with n-alkanes or cycloalkanes, are examined on the basis of the DISQUAC group contribution model. The interaction parameters for the nitro group / n-alkane and nitro group / cycloalkane contacts are reported. The quasichemical parameters decrease with the chain length of 1-nitroalkanes and are smaller for 2-nitroalkanes (steric effect) but are the same for n-alkanes and cycloalkanes. The dispersive parameters are the same for all the nitroalkanes. The model provides a fairly consistent description of phase equilibria and related excess functions, using a unique set of parameters. The deviations between experimental and calculated quantities are typical for mixtures containing a very polar compound.
引用
收藏
页码:115 / 131
页数:17
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