Determination and Correlation for Solubility of Aromatic Acids in Solvents

Abstract

Abstract: Solubility of benzoic acid, terephthalic acid and 2,6-naphthalene dicarboxylic acid in
water, acetic acid, N,N-dimethyfformamide, N,N-dimethylacetamide, dimethyl sulphoxide and
N-methyl-2-ketopyrrolidine were measured by dynamic method. The solubilities were
calculated by UNIFAC group contribution method, in which new groups, BCCOOH and NCCOOH,
were introduced to express the activity coefficients of aromatic acids and new interaction
parameters of the new groups were expressed as the function of temperature, which were
determined from the experimental data. The new interaction parameters provided good
calculated result. The experimental data were also correlated with Wilson and λ-h models,
and results were compared with present UNIFAC model.

Key words: solid-liquid equilibrium, solubility, UNIFAC group contribution method, 2, 6-naphthalene dicarboxylic acid

摘要： Solubility of benzoic acid, terephthalic acid and 2,6-naphthalene dicarboxylic acid in
water, acetic acid, N,N-dimethyfformamide, N,N-dimethylacetamide, dimethyl sulphoxide and
N-methyl-2-ketopyrrolidine were measured by dynamic method. The solubilities were
calculated by UNIFAC group contribution method, in which new groups, BCCOOH and NCCOOH,
were introduced to express the activity coefficients of aromatic acids and new interaction
parameters of the new groups were expressed as the function of temperature, which were
determined from the experimental data. The new interaction parameters provided good
calculated result. The experimental data were also correlated with Wilson and λ-h models,
and results were compared with present UNIFAC model.

关键词: solid-liquid equilibrium;solubility;UNIFAC group contribution method;2;6-naphthalene dicarboxylic acid

MA Peisheng, XIA Qing. Determination and Correlation for Solubility of Aromatic Acids in Solvents[J]. , DOI: .

马沛生, 夏清. 芳香族羧酸溶解度的测定与关联[J]. , DOI: .

References

[1] Shiroto Yoshimi, Kato Tomonori, "Trends of production technologies of naphthalene
derivatives for functional polyesters", Catalysts & Catalysis, 33 (8), 559－565(1991).
[2] Chiba Koji, Tagaya Hideyuki, "Process for the production of naphthalene-2,6-
dicarboxylic acid", J. Chem. Eng.Japan, 52 (7), 40－45 (1988).
[3] Xia, Q., Ruan, X. Q., Zheng, J. M., Ma, P. Sh., "The trend of the production of 2,6-
naphthalene dicarboxylic acid by Co-Mn-Br catalytic oxidation of 2,6-dialkyl
naphthalene",Chemical Industry and Engineering, 14 (4), 27－33 (1997).(in Chinese)
[4] Xia, Q., Ma, P. Sh., "Advances in 2,6-naphthalene dicarboxylic acid purification
technology, Chinese Petrochemical Technology, 26 (5), 325－331 (1997). (in Chinese)
[5] Lu, E. X., "Preparation technology of dimethyl 2,6-naphthalene dicarboxylate",
Guangzhou Chemical Industry and Technology, 22 (3), 41－44 (1994). (in Chinese)
[6] Xu, W. M., Wang, Ch. G., Xiao, R. J., et al., "Purification and identification of 2,6-
naphthalene dicarboxylic acid", Journal of East China Institute of Textile Science and
Technology, 10 (4), 107－111 (1984). (in Chinese)
[7] Davies, C., "Characterization of NDCA 2. Infrared absorption spectra", Fuel, 53 (2),
105－107 (1974).
[8] Stephen, H., Stephen, T., Solubilities of Inorganic and Organic Compounds, Oxford
Pergamon, London (1963).
[9] Hofman, T., Domauska, U., "Solubilities of normal alkanoic acids by the UNIFAC group
contribution method", J. Soln.Chem., 17 (5), 237－243 (1988).
[10] Gmehling, J., Li, J., Schiller, M., "A Modified UNIFAC Model 2. Present parameter
matrix and results for different thermodynamic properties",Ind. Eng. Chem. Res., 32(1), 178
－193 (1993).
[11] Fredeuslund, Aa., Gmehling, J., Rasmussen, P., VaporLiquid Equilibria Using UNIFAC,
Elsevier, Amsterdam (1977).
[12] Reid, R. C., Prausuitz, J. M., Poling, B. E., The Properties of Gases and Liquids, 4th
ed., McGraw-Hill, New York(1987).
[13] Tong, J. Sh., Li, J., Calculation of Fluid Thermophysic Properties, Qinghua University
Press, Beijing (1982).
[14] Weast, R. O., CRC Handbook of Chemistry and Physics,73rd ed., CRC, Florida (1992－
1993).
[15] Nelder, J. A., Mead, R. "A simplex method for function minimization", Comput. J., 18
(2), 308－313 (1975).
[16] Domanska, U., Hofman, T., "Solubility correlation of monocarbonxylic acids in one-
component solvents", Ind. Eng.Chem. Process Des. Dev., 25 (4), 996－1008 (1986).
[17] Domanska, U., Hofman, T., "Correlations for the solubility of normal akanoic acids and
o-toluic acid in binary solvent mixture", J. Soln. Chem., 14 (7), 531－547 (1985).
[18] Domanska, U., "Solubility of n-paraffins hydrocarbons in binary solvent mixtures",
Fluid Phase Equilibria, 35 (1－3), 217－236 (1987).
[19] Domanska, U., "Solid-liquid phase relations of some normal long-chain fatty acids in
selected organic one- and twocomponent solvents", Ind. Eng. Chem. Res., 26 (6),1153－1162
(1987).