Liquid-Liquid Equilibrium for the Ternary Systems of Solvent+ m/o/p-Cresol+Water: Thermodynamic Modeling

Document Type : Research Paper


Department of Chemical Engineering, Faculty of Energy, Kermanshah University of Technology, Kermanshah, Iran


In this study, NRTL and UNIQUAC thermodynamic models were used to predict the composition of ternary mixtures of solvents+ m/o/p-cresol+ water in organic and aqueous phases. Various solvents are used for the separation of cresols from water. In this study, methyl propyl ketone, methyl isopropyl ketone, methyl butyl ketone, and methyl isobutyl ketone solvents were investigated. Intermolecular interaction parameters were considered to be a function of temperature. The binary interaction parameters of water and cresols (m, o, or p) in the presence of each type of solvent were considered to be the same. Also, regardless of the type of cresol (m, o, or p), the parameters of binary interaction between water and each solvents were considered to be the same. The results proved the accuracy of the presented models, though the parameters of binary interaction parameters were considered to be the same. The root mean square deviation for NRTL and UNIQUAC models was 0.0086 and 0.0089, respectively.


[1]   Chen,  Y.,  Lv,  R.,  Li,  L.  and  Wang,  F.  (2017).   “ Measurement  and  thermodynamic  modeling  of  ternary  (liquid+ liquid)  equilibrium  for  extraction   of  o -cresol,  m-cresol  or  p-cresol  from  aqueous  solution with 2- pentanone. ” The Journal  of  Chemical  Thermodynamics , Vol.  104,  pp.  230-238.
[2]  Jiang,  H.,  Fang,  Y.,  Fu,  Y.   and Guo, Q. X.  (2003).  “ Studies   on   the   extraction  of  phenol  in   wastewater. ” Journal  of  Hazardous  Materials , Vol.  101 , No.  2,  pp.  179-190.
[3]  Luo,  L.,  Liu,  D.,  Li,  L.  and   Chen,  Y.  (2016).  “ Measurements  and   thermodynamic   modeling  of  liquid – liquid   equilibria   in   ternary   system   2 – methoxy -2-methylpropane + p –cresol +   water. ” Chinese  Journal  of  Chemical  Engineering, Vol.  24,  No. 3, pp.  360-364.
[4] Luo, L., Li, L., Liu, D. and  Chen, Y. (2015).  “Ternary  liquid–liquid  equilibria  for  the  system  2-methoxy -2-methylpropane+  m-cresol+  water  at  298.15 and 313.15 K: experimental data and cor-relation.” Journal  of   Solution   Chemistry, Vol.  44,  No. 12,  pp. 2393-2404.
[5]  Jiao,  T.,  Gong,  M.,  Zhuang,  X.,  Li,  C.  and  Zhang,   S. (2015).  “ A new separation method for phenolic compounds  from  low-temperature  coal  tar  with  urea  by  complex  formation. ”  Journal  of  Industrial   and Engineering Chemistry,  Vol.  29,  pp. 344-348.
[6]  Chen,  Y.,  Wang,  Z.  and  Li,  L.  (2014).  “ Liquid–liquid equilibria for ternary systems: methyl butyl  ketone+ phenol+ water and methyl butyl ketone+  hydroquinone+  water  at  298.15  K  and  323.15  K.” Journal  of  Chemical  &  Engineering  Data,  Vol.  59, No. 9, pp. 2750-2755.
[7]  Jiazhen, Z.,  Wuhua, D., Jinquan, X.  and  Yiyan, Y.  (2007). “ Experimental  and  simulation  study  on  the extraction of p -cresol using centrifugal extractors.” Chinese  Journal   of  Chemical   Enginee ring, Vol.  15, No.  2,  pp.  209-214.
[8]  Veeresh,  G.  S.,  Kumar,  P.  and  Mehrotra,  I.  (2005). “ Treatment  of  phenol  and  cresols  in  up-flow  anaerobic  sludge  blanket  (UASB)  process:  a  review.” Water  Research, Vol.  39 ,  No.  1,  pp.  154 -170.
[9]  Kavitha,  V.  and   Palanivelu,  K.  (2005).  “ Destruction  of   cresols   by  Fenton   oxidation   pro-cess. ” Water  Research ,  Vol.  39,  No.   13,  pp.  3062-3072.
[10]  Correia,  P.F.  and  de  Carvalho,  J. M.  (2005).   “Salt Effects on the Recovery of Phenol by Liquid‐Liquid  Extraction  with  Cyanex  923. ” Separation  Science  and  Technology,  Vol.  40, No.  16,  pp. 3365-3380.
[11]  Hashemi, S.,  Ghotbi,  C.,  Taghikhani,  V.  and Behzadi, B. (2004).  “ Application of quasi -chemical models  to  liquid – liquid  equilibrium  calculations  for  ternary  systems  containing  water,  propionic  acid  and  organic  solvents.” Fluid  Phase  Equilibria , Vol.  226,  pp. 251-259.
[12]  Lv,  R.,  Wang,  Z.,  Li,  L.  and  Chen,  Y.  (2015).  “ Liquid – liquid  equilibria  in  the  ternary  systems  water+ cresols+ methyl butyl ketone at 298.2 and  313.2 K: experimental data and correlation. ”Fluid Phase  Equilibria,  Vol. 404,  pp. 89-95.
[13]  Pinto,  R.T.P.,   Lintomen,  L.,  Luz  Jr,  L.F.L.  and  Wolf-Maciel,  M.R.  (2005).  “Strategies  for  recovering   phenol   from   wastewater:  thermodynamic   evaluation   and   environmental  concerns.”Fluid Phase  Equilibria,  Vol. 228, pp. 447-457.
[14]  Chen,  Y.,  Wang,  H.,  Lv,  R.  and   Li,  L.  (2016). “ Liquid -liquid  equilibria  for  methyl  isobutyl  ke-tone+  cresols+  water  at  333.15  K,  343.15  K  and   353.15  K:  Experimental  results  and  data  correla-tion.” Fluid   Phase   Equilibria ,  Vol.  427,  pp. 291-296
[15]  Chen,  Y.,  Lv,  R.,  Wang,  F.  and   Li,  L.  (2016).  “ Determination   and   modeling   of   liquid -liquid equilibrium  for  ternary  mixtures  of  methyl  iso-propyl  ketone,  cresol  isomers  and  water.” Fluid Phase Equilibria ,  Vol.  429,  pp.  107-112.
[16] Luo, L., Liu, D., Li, L. and  Chen, Y. (2015). “Experimental   determination  and  correlation  of   liquid – liquid  equilibria  for  theternary  system  2 – methoxy -2-methylpropane +   o –cresol +   water   at   298.15  K  and  313.15  K.”Journal  of  Chemical  &   Engineering Data, Vol.  60, No. 5,  pp.  1396-1400.
[17]  Chen,  Y.,  Lv,  R.,  Li,  L.  and  Wang,  F.  (2017).  “Measurement  and  thermodynamic   modeling  of  ternary (liquid+ liquid) equilibrium  for  extraction  of  o-cresol,  m-cresol  or  p-cresol  from  aqueous  solution with  2 -pentanone.”  The Journal of Chemical  Thermodynamics,  Vol.  104,  pp.  230-238.
[18]  Renon,  H.  and  Prausnitz,  J. M.  (1968).  “ Local  compositions  in  thermodynamic  excess  functions  for  liquid  mixtures.” AIChE  Journal,  Vol.  14,  No. 1,  pp.  135-144.
[19]  Abrams,  D. S.  and  Prausnitz,  J.  M.  (1975).  “ Statistical  thermodynamics  of  liquid  mixtures:  a  new  expression  for  the  excess  Gibbs  energy  of  partly  or  completely  miscible  systems.” AIChE Journal , Vol.  21, No.  1,  pp.  116-12