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Activity Coefficient Modelling of Aqueous Solutions of Alkyl Ammonium Salts using the Extended UNIQUAC Model

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Abstract

Certain alkyl ammonium salts are called ionic liquids They can be used as green solvents without toxicity, effects on the ozone layer depletion, effects on climate change, and any other significant environmental impacts; in this regard knowledge about their thermo-physical properties are really important. In this work activity coefficients of aqueous solutions of alkyl ammonium salts at 298.15 and 293.15 K are modelled using the Extended UNIQUAC (Universal Quasi Chemical) thermodynamic model. Adjustable parameters of the Extended UNIQUAC thermodynamic model were obtained by non-linear regression between experimental data and the results calculated from the model. The results of the model are in good agreement with the experimental values in most cases, the average absolute deviation of the model being less than 2 %, which is acceptable considering the uncertainty of the experimental data. Additionally, the results gained from the Extended UNIQUAC model are also compared with the results obtained from Electrolyte NRTL and Pitzer thermodynamic methods.

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Abbreviations

ILs:

Ionic liquids

AARD:

Absolute average relative deviation

QAS:

Quaternary ammonium salts

DHLL:

Debye–Hückel limiting law

NRTL:

Non-random two-liquid

UNIQUAC:

Universal quasi chemical

x i :

Mole fraction of component i

r i :

Volume area parameter for component i

q i :

Surface area parameter for component i

δ:

Standard deviation

γ:

Activity coefficient

G :

Gibbs energy

H :

Enthalpy

R :

Gas constant

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Authors and Affiliations

  1. Department of Process Engineering, Razi Petrochemical Company, P. O. Box 161, Bandar Imam, Iran

    Vahid Akbari

  2. School of Chemical Engineering, Iran University of Science and Technology, Narmak, Tehran, Iran

    Mohammad Reza Dehghani

  3. Department of Chemical Engineering, Centre for Process Systems Engineering, Imperial College London, London, SW7 2AZ, UK

    Tohid Nejad Ghaffar Borhani

  4. Chemical Engineering Department, Universiti Teknologi Petronas, 32610, Bandar Seri Iskandar, Perak, Malaysia

    Abbas Azarpour

Authors
  1. Vahid Akbari
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  2. Mohammad Reza Dehghani
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  3. Tohid Nejad Ghaffar Borhani
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  4. Abbas Azarpour
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Correspondence to Mohammad Reza Dehghani.

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Akbari, V., Dehghani, M.R., Borhani, T.N.G. et al. Activity Coefficient Modelling of Aqueous Solutions of Alkyl Ammonium Salts using the Extended UNIQUAC Model. J Solution Chem 45, 1434–1452 (2016). https://doi.org/10.1007/s10953-016-0510-x

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