Extraction of Phthalic Acid from Aqueous Solution by Using Ionic Liquids: A Quantum Chemical Approach

S PİLLİ; Kaustubha MOHANTY; Tamal BANERJEE

doi:https://doi.org/10.5541/ijot.76990

Makale detayları

Extraction of Phthalic Acid from Aqueous Solution by Using Ionic Liquids: A Quantum Chemical Approach

Yazarlar:

S PİLLİ | Kaustubha MOHANTY | Tamal BANERJEE

Yayıncı:

Uluslararası Uygulamalı Termodinamik Derneği İktisadi İşletmesi

Dergi:

International Journal of Thermodynamics 2014 Vol.17 Issue 1, pp.42-51

Belge Tipi:

Makale

Yayın Tarihi:

1/2014

Belge Dili:

Türkçe

Document ID (Org No.):

2000476916

Sıklık:

Üç Aylık

eISSN:

2146-1511

pISSN:

1301-9724

DOI:

https://doi.org/10.5541/ijot.76990

Özet:

 

Phthalic acid is an industrial chemical and it comes under the domain of endocrine disrupting chemicals (EDCs). Green solvents such as ionic liquids (ILs) posses good extractable capabilities for EDCs. COSMO–RS methodology is a widely accepted method for the design or selection of ionic liquids. COSMO–RS is a quantum chemical based method based on COSMO polarization charge densities. In this work the model has been used to screen the potential ionic liquids for the removal of phthalic acid from water. Five group of ILs with cations such as phosphonium, imidazolium, pyridinium, pyrolidinium and ammonium based were screened at infinite dilution. A total  of 34 cations and 29 anions i.e. 986 possible ILs were screened and their selectivities and capacities predicted. The  selectivities of the screened ILs are : phosphonium > pyrolidinium > imidazolium > ammonim > pyridinium. Some of the ionic liquids with selectivities were [TBP][CF3SO3] (16057), [OMPYR][BF4] (13265), [C4DMIM][CF3SO3] (11678), [MNH][DEC] (9650) and [C8MPY][CF3SO3] (4735). Experimental validation was done  by  comparing  experimental  logarithmic  octanol–water  partition coefficient  values  (Log Kow)  with  COSMO–RS  predicted  data  on  phthalic acid. The results of this study suggested that the ILs can be a possible substitute for the treatment of organic effluent rich water and wastewater.

Makale detayları

Extraction of Phthalic Acid from Aqueous Solution by Using Ionic Liquids: A Quantum Chemical Approach

Yazarlar: S PİLLİ | Kaustubha MOHANTY | Tamal BANERJEE

Yayıncı: Uluslararası Uygulamalı Termodinamik Derneği İktisadi İşletmesi

Dergi: International Journal of Thermodynamics 2014 Vol.17 Issue 1, pp.42-51

Belge Tipi: Makale

Yayın Tarihi: 1/2014

Belge Dili: Türkçe

Document ID (Org No.): 2000476916

Sıklık: Üç Aylık

eISSN: 2146-1511

pISSN: 1301-9724

DOI: https://doi.org/10.5541/ijot.76990

Sayı

Yazarlar:

S PİLLİ | Kaustubha MOHANTY | Tamal BANERJEE

Yayıncı:

Uluslararası Uygulamalı Termodinamik Derneği İktisadi İşletmesi

Dergi:

International Journal of Thermodynamics 2014 Vol.17 Issue 1, pp.42-51

Belge Tipi:

Makale

Yayın Tarihi:

1/2014

Belge Dili:

Türkçe

Document ID (Org No.):

2000476916

Sıklık:

Üç Aylık

eISSN:

2146-1511

pISSN:

1301-9724

DOI:

https://doi.org/10.5541/ijot.76990