Fluid Phase Equilibria 356 (2013) 30–37
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Fluid Phase Equilibria
j our na l ho me pa ge: www.elsevier.com/locate/fluid
Electrical conductivity of ammonium and phosphonium based deep
eutectic solvents: Measurements and artificial intelligence-based
prediction
F.S. Ghareh Bagh
a
, K. Shahbaz
b
, F.S. Mjalli
c,∗
, I.M. AlNashef
d
, M.A. Hashim
a
a
Chemical Engineering Department, University of Malaya, Kuala Lumpur, Malaysia
b
School of Engineering, Taylor’s University, Selangor, Malaysia
c
Petroleum and Chemical Engineering Department, Sultan Qaboos University, Muscat, Oman
d
Chemical Engineering Department, King Saud University, Riyadh, Saudi Arabia
a r t i c l e i n f o
Article history:
Received 1 March 2013
Received in revised form 2 June 2013
Accepted 4 July 2013
Available online 17 July 2013
Keywords:
Deep eutectic solvents
Electrical conductivity
Artificial neural network
Phosphonium
Ammonium
a b s t r a c t
The evaluation of deep eutectic solvents (DESs) as a new generation of solvents for various practical appli-
cation requires an insight of the main physical, chemical, and thermodynamic properties. In this study,
the experimental measurements of the electrical conductivity of two classes of DESs based on ammonium
and phosphonium salts at different compositions and temperatures were reported. The results revealed
that electrical conductivity of DESs has temperature-dependency. In addition, molar conductivities of
ammonium and phosphonium salts in DESs were obtained using DESs experimental values of electrical
conductivities. The feasibility of using an artificial neural network (ANN) model to predict the electrical
conductivity of ammonium and phosphonium based DESs at different temperatures and compositions
was also examined. A feed-forward back propagation neural network with 8 hidden neurons was suc-
cessfully developed and trained with the measured electrical conductivity data. The results indicated that
among the different networks tested, the network with 8 hidden neurons had the best prediction per-
formance and gave the smallest value of Normalized Mean Square Error (NMSE) (0.0010) and acceptable
values of Index of Agreement (IA) (0.9999) and Regression Coefficient (R
2
) (0.9988). The comparison of
the predicted electrical conductivity of DESs by the proposed model with those obtained by experiments
confirmed the reliability of the ANN model with an average absolute relative deviation (AARD%) of 4.40%.
© 2013 Elsevier B.V. All rights reserved.
1. Introduction
Ionic liquids (ILs) are salts with weak ionic interaction which
allows them to be liquid in ambient temperature (typically below
373.15 K). The scientific and significant importance of ILs have
spanned a broad range of applications, owing to their tempting
physicochemical properties, such as thermal and chemical stabil-
ity, low melting point, negligible volatility, high ionic conductivity,
moderate viscosity, high polarity, and solubility (affinity) with
many compounds [1–5]. Their potential use in a variety of chem-
ical and industrial applications as green solvents has been greatly
explored [1,3]. Nevertheless, ILs are too expensive to be used in
bulk applications since they cannot be well prepared at the labora-
tory with one step of synthesis. Due to the multi-stage purification
processes required to purify the ILs after their synthesis, their pro-
duction cost is quite high. Consequently, researchers prefer to buy
∗
Corresponding author. Tel.: +968 2414 2558; fax: +968 2414 1354.
E-mail address: farouqsm@yahoo.com (F.S. Mjalli).
them than to synthesize them locally. This imposes a constraint on
using them as a viable and practical industrial chemical ingredient
[6,7].
Fortunately, a low cost alternative for ILs is available. Deep
eutectic solvents (DESs) belong to a class of ionic liquids which
are mixtures of a quaternary salt with a metal halide (Lewis acid),
a hydrated salt, or an ordinary hydrogen bond donor (HBD) such as
alcohol, amide as well as carboxylic acid as complexing agent. This
results in the formation of an eutectic mixture with a melting point
that is considerably lower than its original precursors. For this rea-
son, this mixture is called a DES. Moreover, DESs overcome some
principal disadvantages from ILs, they are easy to prepare in pure
state, non-reactive with water, fairly safe (when carefully designed
from benign components) and biodegradable [8–12].
Recently, few research groups reported the synthesis and use
of DESs in different applications. Abbott research group was the
first to report the synthesis and use of ammonium-based DESs in
different promising applications [9]. They described for the first
time the electrodeposition of composite materials using DESs [13].
Kareem et al. [14] reported some important physical properties of
0378-3812/$ – see front matter © 2013 Elsevier B.V. All rights reserved.
http://dx.doi.org/10.1016/j.fluid.2013.07.012