Solubility of triclocarban in pure alkanols at different temperatures

Junhyuk Lim; Sunghyun Jang; Hwayong Kim; Hye Kyoung Cho; Moon Sam Shin

Korean Journal of Chemical Engineering, Vol.30, No.1, 181-186, January, 2013

DOI10.1007/s11814-012-0099-8 Export Citation

Solubility of triclocarban in pure alkanols at different temperatures

Junhyuk Lim, Sunghyun Jang, Hwayong Kim^†, Hye Kyoung Cho¹, and Moon Sam Shin^{1, †}

School of Chemical & Biological Engineering and Institute of Chemical Processes, Seoul National University, Seoul 151-744, Korea
¹Department of Dermatological Health Management, Eulji University, 212, Yangji-dong, Sujeong-gu, Seongnam-si, Gyeonggi-do 461-713, Korea

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Triclocarban solubility in six pure alcohols was determined in the temperature interval from 278.15 to 318.15 K. The experimental solubility data were correlated by the Wilson, the nonrandom two liquid (NRTL) and the universal quasi-chemical (UNIQUAC) models. The data are well fitted with all three models for the six pure alcohols studied here. Also, ab initio geometry optimization of triclocarban was performed using the density functional theory (DFT) based on DMol3 method.

Keywords:Solid-liquid Equilibrium;Triclocarban;Alcohol

[References]

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Aragon DM, Ruidiaz MA, Vargas EF, Bregni C, Chiappetta DA, Sosnik A, Martinez F, J. Chem. Eng. Data., 53, 2576 (2007)
Delley B, J. Chem. Phys., 113(18), 7756 (2000)
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[1] Breneman DL, Hanifin JM, Berge CA, Kewick BH, Neumann PB, Cutaneous Medicine for the Practitioner., 66, 296 (2000)

[2] Luby S, Agboatwalla M, Feikin D, Painter J, Billhimer W, Altaf A, Hoekstra R, The Lancet., 366, 225 (2005)

[3] Exner O, Hoffmann HM, US Patent, 6,121,214 (2000)

[4] Charlton LR, McGillycuddy JT, US Patent, 6,224,886 (2001)

[5] Moffat AC, Osselton MD, Widdop B, Clarke’s Analysis of Drugs and Poisons, 3rd Ed., Vol. 2, Pharmaceutical Press, London (2004)

[6] Arogon DM, Sosnik A, Martinez F, J. Sol. Chem., 38, 1493 (2009)

[7] Li QS, Li Z, Wang S, J. Chem. Eng. Data, 52(1), 151 (2007)

[8] Wei DW, Chen LM, Fluid Phase Equilib., 277(1), 9 (2009)

[9] Fu RR, Yan WD, Zhu M, J. Chem. Eng. Data, 49(2), 262 (2004)

[10] Wilson GM, J. Am. Chem. Soc., 86, 127 (1964)

[11] Renon H, Prausnitz JM, AIChE J., 14, 135 (1968)

[12] Abrams DS, Prausnitz JM, AIChE J., 21, 116 (1975)

[13] Taylor BN, Kuyatt CE, Guidelines for Evaluating and Expressing the Uncertainty of NIST Measurement Results, 1994 Ed., NIST.

[14] Dalton JB, Schmidt CLA, J. Biol. Chem., 103, 549 (1933)

[15] DIPPR 801 Database, Design Institute for Physical Property Data, American Institute of Chemical Engineers.

[16] Polling BE, Prausnitz JM, O’Connell JP, The Properties of Gases and Liquids, 5th Ed., McGrow-Hill, New York (2001)

[17] Constantinou L, Gani R, Oconnell JP, Fluid Phase Equilib., 103(1), 11 (1995)

[18] Sandler SI, Chemical, Biochemical, and Engineering Thermodynamics, 4th Ed., John Wiley & Sons, Inc., New Jersey (2005)

[19] Prausnitz JM, Lichtenthaler RN, de Azevedo EG, Molecular Thermodynamics of Fluid-Phase Equilibria, 3rd Ed., Prentice Hall PTR, New Jersey (1999)

[20] Aragon DM, Ruidiaz MA, Vargas EF, Bregni C, Chiappetta DA, Sosnik A, Martinez F, J. Chem. Eng. Data., 53, 2576 (2007)

[21] Delley B, J. Chem. Phys., 113(18), 7756 (2000)

[22] Perdew JP, Burke K, Ernzerhof M, Phys. Rev. Lett., 77, 3865 (1996)

[23] Chang J, Korean Chem. Eng. Res., 49(3), 361 (2011)