화학공학소재연구정보센터
Journal of Chemical Thermodynamics, Vol.104, 50-60, 2017
Thermodynamic modelling for solubility of 4-nitrobenzaldehyde in different solvents at temperature range from (273.15 to 313.15) K and mixing properties of solutions
In this work, the solubility of 4-nitrobenzaldehyde in methanol, ethanol, isopropanol, n-butanol, acetone, ethyl acetate, acetonitrile, 2-butanone, N, N-dimethylformamide, n-propanol and toluene was determined with the isothermal saturation method at the temperatures ranging from (273.15 to 313.15) K under atmosphere pressure. The mole fraction solubility increased with increasing temperature and obeyed the following order from high to low in the selected solvents except for acetonitrile: N, N-dimethylformamide > acetone > 2-butanone > ethyl acetate > methanol > toluene > ethanol > n-propanol > n-butanol > isopropanol. The results correlated with four models, which corresponded to the Apelblat equation, lambda h equation, Wilson model and NRTL model. The largest value of root-mean-square deviation (RMSD) was 11.53 x 10 (4), and relative average deviation (RAD), 2.36%. The four thermodynamic models could all be employed to correlate the mole fraction solubility of 4-nitrobenzaldehyde in the selected solvents under studied conditions. In addition, the mixing Gibbs energy, mixing enthalpy, mixing entropy, activity coefficient at infinitesimal concentration (gamma(infinity)(1)) and reduced excess enthalpy (H-1(E,infinity)) were computed. The mixing process of 4-nitrobenzaldehyde in the solvents was spontaneous and endothermic. The acquired solubility and thermodynamic studies would be very helpful for optimizing the purification process and further study of 4-nitrobenzaldehyde. (C) 2016 Elsevier Ltd.