IJCCE Volume 38 Issue 5 Pages 221-237

Download as pdf or txt
Download as pdf or txt
You are on page 1of 17

Iran. J. Chem. Chem. Eng. Research Article Vol. 38, No.

5, 2019

Modeling of Refractive Indices for Binary Aqueous Solutions


of Some Alkane Polyols at Constant Temperature and Pressure

Koohyar, Fardad
Division of Computational Physics, Institute for Computational Science, Ton Duc Thang University,
Ho Chi Minh City, VIETNAM

Kiani, Farhoush*+
Department of Chemistry, Faculty of Science, Islamic Azad University, Ayatollah Amoli Branch,
Amol, I.R. IRAN

ABSTRACT: In this research, a theoretical study has been undertaken on the density and also
on the relationship between refractive index and density for aqueous solutions. A simple linear
equation is suggested to show this relationship. Also, a semi-empirical equation has been developed
for estimating the constant of this linear equation. By using our suggested equations, the refractive
indices of aqueous solutions of alkane polyols [R(OH)n, n = 2 to 6 -OH,s) and also polyols with
one ring (monosaccharide) can be calculated. Moreover, the refractive indices of some alcohols
and other components have been collected from the various literature. Our suggested equations
have been tested for aqueous solutions of these molecules. For aqueous solutions of alkane polyols
[R-(OH)n, n = 2 to 6 –OH,s) and monosaccharide, a good agreement is observed between
experimental refractive indices and theoretical ones. Other molecules show positive and/or negative
deviations from the results of our suggested equations. For various liquid solutions, the refractive indices
can be correlated and fitted with our linear equation. Also, the value of the constant of this linear
equation, Kref, shows the power of interaction between solute and solvent molecules. The interaction
between solute and solvent molecules increases when the value of constant, Kref increases.

KEYWORDS: Refractive index; Alkane polyols; Hydrogen bonding; Aqueous solution;


Temperature, Linear equation.

INTRODUCTION
Refractive index (nD or n) is one of the most industries like pharmaceutical [6,7], food [8], petroleum [9]
important thermodynamic and optical properties of and cosmetic [10]. In pharmaceutical and food industries,
solutions [1-5]. It has many applications in various refractive index (RI) is often used to qualify control
* To whom correspondence should be addressed.
+ E-mail: [email protected] ; [email protected]
 Other Address: Faculty of Applied Sciences, Ton Duc Thang University, Ho Chi Minh City, VIETNAM
 Other Address: Discipline of Chemical Engineering, School of Engineering, University of KwaZulu-Natal, Howard
College Campus, King George V Avenue, Durban 4041, SOUTH AFRICA
1021-9986/2019/5/221-237 17/$/6.07

Research Article 221


Iran. J. Chem. Chem. Eng. Koohyar F. & Kiani F. Vol. 38, No. 5, 2019

of crude intermediate and final products. Also, the refractive In recent years, some researchers have worked
index gives us important information about various engineering on refractive indices of pure compounds and solutions.
calculations, for instance, RI is a key parameter for Shekaari and Jebali reported refractive indices of aqueous
characterizing raw oils. The determination of this index through solutions of (amino acid + Ionic Liquid ([BMIm]Br)
the experiment is capital-intensive and time-consuming [11]. at 298.15 K [26]. Tan and Huang studied the dependence
On the other hand, the refractive index can be modified in of refractive index on concentration and temperature
the cosmetic materials as it is important in making clear in an electrolyte solution, polar solution, nonpolar solution, and
emulsions used in cosmetic formulations [12]. protein solution [27]. Lorimer reported refractive index
Besides, it can be applied in academic and research increments of polymers in solution [28]. Bai and Katz
works. The refractive index information can lead us researched the refractive index of sodium iodide solutions for
to a better understanding of interactions between solute index matching in PIV [29]. Li et al. reported values of sodium
and solvent molecules [13-15]. and potassium aluminate aqueous solutions [30]. Chen et al.
For a medium like an aqueous solution, the refractive determined the refractive index of an aqueous solution of CdTe
index is the ratio of the velocity of light in vacuum and phase quantum dots [31]. Koralewski et al. obtained optical properties
velocity of light in the medium [16]. Also, the refractive index of chitosan in aqueous solution [32]. Proutiere et al. reported
can be obtained from Maxwell’s equation as follow [17]: refractive index variations in pure liquids [33]. Gharagheizi et al.
reported a group contribution model for the estimation of
c 
n  (1) refractive indices of organic compounds [34].
 0 0 In this study, for aqueous solutions, in the first step
we will show that there is a linear relationship between
In Equation (1), c is the velocity of light in vacuum,
refractive index and molar concentration, especially in low molar
v is the velocity of light in the medium, ε and μ are
concentration. In the second step, we will introduce a semi-
the permittivity and permeability for medium and ε0 and μ0
empirical equation for the calculation of Kref for binary aqueous
are the permittivity and permeability for the vacuum,
solutions (water + glycerol, 1- propanol, 1,3-propandiol, butane-
respectively.
1, 3-diol, butane-1, 4-diol, butane-2, 3-diol, pentaerythritol, D-
The Refractive index has no dimension. Most of the
fructose, D-glucose, and D-mannitol) at constant temperature and
materials have positive refractive index values and some
atmospheric pressure (Table 1). However, other solute molecules
others have negative ones [18-20].
(ethylene glycol, ethanol, acetone, lactic acid, acetic acid, citric
Negative Index Metamaterial (NIM) has already been
acid, urea, and 1-amino-2-propanol) show a deviation (negative
introduced in 1968 [21] by the general consideration
or positive) from the proposed equations.
of the electrodynamics properties of the materials with
simultaneously negative values of the dielectric
CALCULATIONS
permittivity and magnetic permeability. In 1996, Pendry
The Gladstone–Dale relation shows the relationship
proposed that a negative epsilon can be made by
between density (ρ) and refractive index (n) for binary
arranging the metal wires in a simple cubic lattice [22].
liquid solutions which is given as follows [35]:
But the main question was how we could get the negative μ.
This question was answered by Smith in 2000 [23]. n  1  B (2)
Smith proposed a structure consisting of a periodic array In Equation (2), B is the Gladstone–Dale constant.
of split-ring resonators and continuous wires that Equation 3 shows the relationship between variations
produced the negative permeability and negative of ρ and n when molar concentration of solute, c, varies
permittivity. in binary liquid solution:
The refractive index of the medium varies as
dn d
the wavelength of light changes [24]. In an apparatus which B (3)
is used for measuring refractive index, a fixed source dc dc
of light (with a certain wavelength) is applied for light We assume that some non-ionic solute molecules
generation. For example, in the Abbe refractometer, a sodium are dissolved in a solvent (water) and a binary aqueous
lamp generates the yellow light (λ = 598.3 nm) [25]. solution, with molar concentration c, is provided.

222 Research Article


Iran. J. Chem. Chem. Eng. Modeling of Refractive Indices for Binary Aqueous Solutions ... Vol. 38, No. 5, 2019

Table1: The experimental (from Equation (11)) and theoretical (from Equation (13)) values of Kref for aqueous solutions of
some alcohols and polyols at constant temperature and atmospheric pressure.
c(mol.L-1) Kref (exp) (L/mol) Kref (cal) (L/mol) %RD (Kref)
a
Glycerol (at 293.15 K)

0.109 0.0110 3.6000

0.327 0.0107 0.9346


0.548 0.0106 0.0000

1.109 0.0106 0.0000

1.800 0.0106 0.0106 0.0000

2.752 0.0107 0.9346

4.771 0.0107 0.9346

6.385 0.0107 0.9346

8.680 0.0106 0.0000


10.498 0.0105 1.9048

D-Fructosea (at 293.15 K)


0.112 0.0250 3.2000

0.283 0.0254 1.5748

0.517 0.0253 1.9763


1.072 0.0253 1.9763
1.600 0.0253 0.0258 1.9763

2.164 0.0251 2.7888


2.613 0.0250 3.2000
2.925 0.0250 3.2000

3.247 0.0250 3.2000


a
D-Glucose (at 293.15 K)
0.112 0.0250 3.2000
0.516 0.0256 0.7813
1.070 0.0255 0.0258 1.1765

2.014 0.0253 1.9763

3.071 0.0251 2.7888

4.081 0.0250 3.2000


a
D-Mannitol (at 293.15 K)
0.110 0.0264 1.1364

0.279 0.0262 0.3817

0.509 0.0260 0.0261 0.0000

0.626 0.0257 1.5564

0.746 0.0256 1.9531

0.867 0.0256 1.9531


b
Pentaerythritol (at 298.15 K)
0.3708 0.0175 0.0176 0.5714

Research Article 223


Iran. J. Chem. Chem. Eng. Koohyar F. & Kiani F. Vol. 38, No. 5, 2019

Table1: The experimental (from Equation (11)) and theoretical (from Equation (13)) values of Kref for aqueous solutions of
some alcohols and polyols at constant temperature and atmospheric pressure.
c(mol.L-1) Kref (exp) (L/mol) Kref (cal) (L/mol) %RD (Kref)

Pentaerythritolb (at 313.15 K)

1.2838 0.0176 0.0176 0.0000


a
Ethanol (at 293.15 K)

0.6460 0.0028 32.1429

1.4980 0.0029 27.5862

2.9670 0.0032 0.0037 15.6250

5.0180 0.0033 12.1212

9.9190 0.0029 27.5862

Ureaa (at 293.15 K)

0.5020 0.0084 28.5714

1.5310 0.0086 30.2326

3.1390 0.0086 0.0060 30.2326

5.0140 0.0085 29.4118

6.1850 0.0084 28.5714

6.5840 0.0084 28.5714


a
Lactic acid (at 293.15 K)

0.111 0.0091 13.1868

0.560 0.0089 15.7303

1.017 0.0088 0.0103 17.0455

2.076 0.0087 18.3908

3.305 0.0086 19.7674

5.377 0.0085 21.176

Ethylene glycola (at 293.15 K)

0.161 0.0056 8.9286

0.484 0.0058 5.1724

0.972 0.0058 0.0061 5.1724

1.464 0.0058 5.1724

1.959 0.0058 5.1724


a
Citric acid (at 293.15 K)

0.105 0.0248 15.3226

0.320 0.0241 18.6722

0.541 0.0238 0.0286 20.1681

0.771 0.0239 19.6653

1.130 0.0237 20.6751

1.508 0.0235 21.7021

224 Research Article


Iran. J. Chem. Chem. Eng. Modeling of Refractive Indices for Binary Aqueous Solutions ... Vol. 38, No. 5, 2019

Table1: The experimental (from Equation (11)) and theoretical (from Equation (13)) values of Kref for aqueous solutions of
some alcohols and polyols at constant temperature and atmospheric pressure.
c(mol.L-1) Kref (exp) (L/mol) Kref (cal) (L/mol) %RD (Kref)

1,3-Propandiolc (at 298.15 K)

1.3188 0.0078 2.5641

2.6569 0.0080 0.0080 0.0000

5.3950 0.0081 1.2346

8.1987 0.0080 0.0000

1-Amino-2-propanold (at 298.15 K)

2.3961 0.0099 20.2020

3.1819 0.0100 0.0079 21.0000

4.1810 0.0102 22.5490

6.8122 0.0102 22.5490

Acetic acida (at 293.15 K)

0.1660 0.0042 38.0952

0.5010 0.0044 31.8182

1.0060 0.0043 0.0058 34.8837

2.0280 0.0042 38.0952

3.4140 0.0042 38.0952

5.1800 0.0040 45.0000

butane-1, 3-diole (at 298.15 K)

1.0282 0.0098 0.0100 2.0408

2.3244 0.0099 1.0101

butane-1, 4-diole(at 298.15 K)

2.3239 0.0100 0.0100 0.0000

6.2848 0.0099 1.0101

butane-2, 3-diole (at 298.15 K)

2.3348 0.0104 0.0100 3.8462

6.3085 0.0108 7.4074


a
1-Propanol (at 293.15 K)

0.4960 0.0054 3.7037

0.9870 0.0056 0.0000

1.9580 0.0057 0.0056 1.7544

2.9110 0.0056 0.0000

3.2230 0.0056 0.0000

Research Article 225


Iran. J. Chem. Chem. Eng. Koohyar F. & Kiani F. Vol. 38, No. 5, 2019

Table1: The experimental (from Equation (11)) and theoretical (from Equation (13)) values of Kref for aqueous solutions of
some alcohols and polyols at constant temperature and atmospheric pressure.
c(mol.L-1) Kref (exp) (L/mol) Kref (cal) (L/mol) %RD (Kref)

Acetonea (at 293.15 K)

0.172 0.0041 29.2683

0.513 0.0043 23.2558

0.853 0.0042 0.0053 26.1905

1.191 0.0043 23.2558

1.360 0.0043 23.2558

1.696 0.0042 26.1905

Maltosea (at 293.15 K)

0.119 0.0496 21.1694

0.303 0.0502 19.7211

0.497 0.0499 0.0601 20.4409

0.700 0.0497 20.9256

0.914 0.0498 20.6827

2.068 0.0493 21.9067


a) Ref [38]; b) Ref [58]; c) Ref [59]; d) Ref [60]; e) Ref [61]

dn n  n 0 n
  (6)
dc c c

In Equation (5), ρ and ρₒ are the density of binary


aqueous solution and solvent (water), respectively. Also,
in Equation (6), n and nₒ are the refractive index of binary
aqueous solution and solvent (water), respectively.
Using Equations (5) and (6), Equation (3) can be
rewritten as Equation (7):

n  n0   0
B (7)
c c

Fig. 1: The microscopic structure of the liquid solution. It can be seen in some research works and literature
In this figure, the bigger molecules are solute and smaller [26,30,36-38] that for binary aqueous solutions, there is
molecules are solvent. a linear relationship between density and concentration
of solutes, especially in low concentrations, as below:
The microscopic structure of this binary aqueous solution
  kc  0 (8)
can be seen in Fig. 1.
It is clear that in aqueous solutions, cₒ = 0. Therefore: In Equation (7), k is a constant. Equation (7) can be
dc  c  c0  c (4) rewritten as below:
  0
On the other hand, we can write: k (9)
c
d   0  Equation (10) can be obtained by combining
  (5)
dc c c Equations (7) and (9):

226 Research Article


Iran. J. Chem. Chem. Eng. Modeling of Refractive Indices for Binary Aqueous Solutions ... Vol. 38, No. 5, 2019

n  n0 On the other hand, we have chosen glycerol as a basic


 Bk (10)
c molecule and investigated on the Kref of this molecule.
Glycerol has 3 hydroxyl groups and generates hydrogen
In Equation (10), Bk is a constant that can be named
bonds with water molecules in aqueous solutions.
Kref. Therefore, Equation (10) can be presented as
We suggested the below semi-empirical equation to calculate
Equation (11):
the value of Kref for glycerol, in aqueous solution, at
n T,P   K ref c  n 0 (11) atmospheric pressure and constant temperature (293.15 K):

K ref   M w solute  18.01  (13)


In Equation (11), n(T,P) is the refractive index of binary    
aqueous solution at given constant temperature and 0.0000052 N 
  O   0.000128
pressure, c is the molar concentration of this aqueous
solution, and nₒ is the refractive index of solvent (water) In Equation (13), Mw is the molar mass of solute and
at given constant temperature and pressure. N(-O-) is the number of hydroxyl groups and/or oxygen
Equation (11) can be successfully applied in an atoms that are existed in the solute molecule. It is well
aqueous solution of polyols and disaccharides, especially known that in alkane polyols and monosaccharide, the
in low concentrations. However, as can be seen in Table oxygen atom of the solute molecule generates hydrogen bond
2 and Fig. 2, Equation (11) can also be applied in an with the water molecule.
aqueous solution of other solutes in higher molar We examined Equation (13) for some linear alkane
concentration [13, 14, 38-44]. polyols (n = 2 to 6 –OH,s) and polyols with one ring
In Equation (11), for binary aqueous solutions, (monosaccharide) and we have found that this equation
the molal concentration (instead of molar concentration) can be successfully applied for calculating Kref of
can be applied in low concentrations because in a specified these molecules (please see Table 1). The Kref which
Molar Concentration Range (MCR), the molality very is obtained from Equation 13 can be named theoretical
closes to molarity. This molar concentration range varies Kref [Kref(calc)].
in different solutes. In Table 3, these Molar Concentration
Ranges (MCR) are listed for 48 solutes (acids, bases, RESULTS AND DISCUSSION
alcohols, polyols, monosaccharide, disaccharide, and As it has been mentioned in the introduction section [26-34],
salts). As it can be seen in this table, among these solutes, some researchers introduced equations that typically
the shortest molar concentration range belongs to sucrose show the relationship between refractive indices of
(0 ≤ c ≤ 0.10). solutions and their concentrations. There are three
Equation (11) can be expanded for ternary and important differences between our model and the models
quaternary liquid systems as below: which have been reported in other literature. First,
3
in most, this literature, the square, cube, and/or more
n  T,P    ci K ref i   n 0 (12) complex equations have been suggested to
i l predict/estimate values of refractive indices of liquids
and solutions while in this article, for linear alkane polyols
In Equation (12), the value of i for binary, ternary,
(n = 2 to 6 -OHs) and polyols with one ring
and the quaternary aqueous solution is 1, 2, and 3,
(monosaccharide), we suggested a simple linear equation
respectively. nₒ is the refractive index of the solvent
with high accuracy (please see Table 1: %RD for
at a given constant temperature.
calculation of Kref are around 2% or less than %2) to
We can use Equation (11) to obtain Kref for binary
predict values of the refractive index of solutions.
aqueous solutions of various components such as alkane
Second, there is a constant, Kref, in our linear equation
polyols, monosaccharides, organic molecules and acids,
that we suggested another semi-empirical equation (Equation
and ionic molecules. The values of Kref which are
(13)) for calculation of this constant but in other literature,
obtained from Equation 11 can be named experimental
we couldn’t observe any equation for calculation of
Kref [Kref(exp)].
constants. Third, in other literature, the constants of

Research Article 227


Iran. J. Chem. Chem. Eng. Koohyar F. & Kiani F. Vol. 38, No. 5, 2019

Table 2: The relationship between refractive index, n, and molar concentration, c, for aqueous solutions
of various solutes (species) at T = 293.15 Ka.
Specie Mw (g/mol) Equation (n vs. c)b R2 Molar concentration range
Alkanols and Alkane polyols
Methanol (CH3OH) 32.04 y = 0.0009x + 1.3328 0.9986 0.156 – 10.580
Ethanol (C2H5OH) 46.07 y = 0.0033x + 1.3327 0.9986 0.216 – 7.370
1-Propanol (C3H8O) 60.10 y = 0.0055x + 1.3331 0.9992 0.166 – 3.838
Ethylene glycol (C2H6O2) 62.07 y = 0.0059x + 1.3329 0.9999 0.161 – 8.212
Glycerol (C3H8O3) 92.09 y = 0.0107x + 1.3330 1.0000 0.109 – 6.385
D-Glucose (C6H12O6) 180.16 y = 0.0250x + 1.3333 0.9999 0.056 – 4.081
D-Fructose (C6H12O6) 180.16 y = 0.0251x + 1.3331 1.0000 0.056 – 2.767
D-Mannitol (C6H14O6) 182.17 y = 0.0254x + 1.3332 0.9999 0.055 – 0.867
Lactose (C12H22O11) 342.30 y = 0.0508x + 1.3330 0.9999 0.029 – 0.565
Sucrose (C12H22O11) 342.30 y = 0.0483x + 1.3332 1.0000 0.059 – 2.255
Maltose (C12H22O11) 342.30 y = 0.0493x + 1.3332 1.0000 0.059 – 2.253
Organic acids
Formic acid (CH2O2) 46.03 y = 0.0024x + 1.3332 0.9983 0.109 – 4.074
Acetic acid (CH3COOH) 60.05 y = 0.0041x + 1.3332 0.9996 0.166 – 4.470
Lactic acid (C3H6O3) 90.08 y = 0.0085x + 1.3333 0.9999 0.111 – 5.377
Oxalic acid (C2H2O4) 90.03 y = 0.0095x + 1.3331 0.9995 0.056 – 0.920
Citric acid (C6H8O7) 192.12 y = 0.0233x + 1.3333 1.0000 0.211 – 1.639
Organic solutes
Ammonia (NH3) 17.03 y = 0.0009x + 1.3329 89..04 0.292 – 5.622
Acetone (C3H6O) 58.08 y = 0.0043x + 1.3330 0.9999 0.172 – 1.696
Urea (CH4N2O) 60.06 y = 0.0084x + 1.3333 0.9999 0.167 – 8.234
Ionic solutes
Sodium hydroxide (NaOH) 39.99 y = 0.0099x + 1.3334 0.9989 0.125 – 2.174
Sodium chloride (NaCl) 58.44 y = 0.0092x + 1.3335 0.9992 0.172 – 3.056
Sodium acetate (CH3COONa) 82.03 y = 0.0103x + 1.3335 0.9992 0.122 – 2.993
Sodium nitrate (NaNO3) 84.99 y = 0.0085x + 1.3335 0.9989 0.118 – 2.689
Sodium bromide (NaBr) 102.89 y = 0.0133x + 1.3334 0.9998 0.197 – 2.837
Potassium hydroxide (KOH) 56.11 y = 0.0097x + 1.3335 0.9990 0.179 – 1.938
Potassium chloride (KCl) 74.55 y = 0.0091x + 1.3334 0.9993 0.135 – 2.701
Potassium nitrate (KNO3) 101.1032 y = 0.0085x + 1.3333 0.9991 0.099 – 2.240
Potassium bromide (KBr) 119.00 y = 0.0130x + 1.3334 0.9997 0.084 – 2.914
Potassium iodide (KI) 166.00 y = 0.0207x + 1.3334 1.0000 0.122 – 3.134
Hydrochloric acid (HCl) 36.46 y = 0.0079x + 1.3333 0.9996 0.137 – 4.099
Lithium chloride (LiCl) 42.39 y = 0.0082x + 1.3335 0.9995 0.118 – 4.118
Ammonium chloride (NH4Cl) 53.491 y = 0.0097x + 1.3333 0.9997 0.187 – 3.128
Cesium Chloride (CsCl) 168.36 y = 0.0121x + 1.3334 0.9996 0.120 – 3.877
Nitric acid (HNO3) 63.01 y = 0.0074x + 1.3334 0.9996 0.159 – 3.937
Silver nitrate (AgNO3) 169.87 y = 0.0168x + 1.3334 0.9998 0.120 – 2.758
Manganese(II) sulfate (MnSO4) 151.00 y = 0.0240x + 1.3336 0.9996 0.135 – 1.063
Copper sulfate (CuSO4) 159.61 y = 0.0265x + 1.3335 0.9993 0.063 – 1.013
a) Ref [38] ; b) Eq. [24]

228 Research Article


Iran. J. Chem. Chem. Eng. Modeling of Refractive Indices for Binary Aqueous Solutions ... Vol. 38, No. 5, 2019

1.46 (from light) and electrical and magnetic fields which


1.44 are generated by solute and solvent molecules. The strength
of these interactions depends on the strength of electrical
1.42
and magnetic fields that are generated by components in
1.4
aqueous solution. Of course, the sum of electrical,
n

1.38 and or magnetic, fields generated by solute and solvent


1.36 molecules interact with photons.
In aqueous solutions of polyols and monosaccharides,
1.34
there are interactions between dipoles-dipoles, induced
1.32 dipoles-induced dipoles (London dispersion force), and
0 1 2 3 4 5 6
dipoles-induced dipoles [45,46]. London interactions
C (mol/L)
generate the fluctuating electric fields and these fields
Fig. 2: The refractive index, n, versus molar concentration of affect the beam of light passing through the solution.
solute, c, for binary mixtures of (♦): [water (1) + maltose (2)], These effects reduce the velocity of light and increase
(×): [water (1) + potassium iodide (2)], (■): [water (1) + lactic
the value of the refractive index of the solution.
acid (2)], and (▲): [water (1) + ammonia (2)] at T = 293.15 K.
The energy of interaction between two uncharged
molecules (A and B) can be approximated using
equations don’t give us any information about the power
the London formula as the below [47]:
of interactions between species in solutions while the values
of Kref can help us to find out the power of interactions
 3  I I    
between solute and solvent molecules. The higher value E AB      A B   A6 B  (14)
 2   IA  IB   r 
of Kref shows the stronger interaction between the solute
and solvent molecule. Therefore, for different liquid and
Where I am the first ionization potentials of the
especially aqueous solutions, we can study on power
molecule, α is the polarizability, and r is the distance
of interactions between solvent and solute molecules using
between molecule A and molecule B. In alkane polyols
the values of their Kref. Of course, it should be noted
and monosaccharide, the value of polarizability can be
that for better comparison between the power of solute-
increased by increasing number of electrons and protons
solvent interactions, the values of Kref must be measured
(molar mass) of solute. Also, the formula of alkanols is
and considered in the same concentrations (preferably in low
R(OH). In these molecules, the -R group has an electron
concentrations). Depend on the nature of molecules, in
donor effect on the oxygen atom of the hydroxyl agent.
higher concentrations, the value of experimental Kref
It is well known that the electron donor effect increases
decreases. In aqueous solutions, by increasing concentration,
by increasing the mass of -R group. Therefore, the oxygen
the solute-solute interactions increase and consequently,
the interactions between solute and solvent molecules atom in the heavier molecule is more negative and
decrease. can generate a stronger hydrogen bond with water molecules
The values of experimental and theoretical Kref for (please see Kref for ethanol and 1-propanol in Table 1).
aqueous solutions of some alkane polyols and Equation 13 shows that for alkane polyols and
monosaccharides are listed in Table 1. It can be seen monosaccharides, in aqueous solution, the molar mass
in this table that there is a good agreement between of solute, Mw, (please see Table 2) and several hydroxyl
experimental and theoretical Kref for these alkane polyols agents (-OH) and/or oxygen atoms are important factors
(the Relative Deviation, RD, is less than %2 in most that can be effective on the refractive index of these
cases). It indicates that Equations 11 and 13 can be used solutions.
for calculation of the refractive index of alkane polyols It must be noted that for calculating values of Kref
(n = 2 to 6 -OHs) and monosaccharides, especially in low for solutes that have nitrogen and fluorine, N(-O-) is the
concentrations (please see Table 2). number of oxygen atoms plus a number of these elements
When light passes through a medium (like aqueous (N and F). Various solute molecules can be classified into
solution), the interactions occur between photons three groups regarding Equation 13.

Research Article 229


Iran. J. Chem. Chem. Eng. Koohyar F. & Kiani F. Vol. 38, No. 5, 2019

Table 3: Molar concentration ranges of solutes, Δc, for aqueous solutions that in this ranges, the molality is equal to molarity a.

Species Δc (mol.L-1) Species Δc (mol.L-1) Species Δc (mol.L-1)

acetic acid 0 ≤ c ≤ 0.501 copper(II) sulfate 0 ≤ c ≤ 1.360 lactic acid 0 ≤ c ≤ 0.325


acetone 0 ≤ c ≤ 0.172 ethanol 0 ≤ c ≤ 0.432 lactose 0 ≤ c ≤ 0.11
ammonia 0 ≤ c ≤ 1.162 ethylene glycol 0 ≤ c ≤ 0.322 Lithium chloride 0 ≤ c ≤ 0.964
ammonium chloride 0 ≤ c ≤ 0.187 iron(III) chloride 0 ≤ c ≤ 0.388 magnesium chloride 0 ≤ c ≤ 0.895
ammonium sulfate 0 ≤ c ≤ 0.309 formic acid 0 ≤ c ≤ 0.436 magnesium sulfate 0 ≤ c ≤ 1.788
barium chloride 0 ≤ c ≤ 0.641 D-fructose 0 ≤ c ≤ 0.168 maltose 0 ≤ c ≤ 0.110
calcium chloride 0 ≤ c ≤ 0.768 D-glucose 0 ≤ c ≤ 0.168 manganese(II) sulfate 0 ≤ c ≤ 1.424
cesium chloride 0 ≤ c ≤ 0.573 glycerol 0 ≤ c ≤ 0.30 potassium iodide 0 ≤ c ≤ 0.350
potassium bicarbonate 0 ≤ c ≤ 0.510 oxalic acid 0 ≤ c ≤ 0.281 potassium nitrate 0 ≤ c ≤ 0.405
potassium bromide 0 ≤ c ≤ 0.526 citric acid 0 ≤ c ≤ 0.158 phosphoric acid 0 ≤ c ≤ 0.416
potassium carbonate 0 ≤ c ≤ 0.789 nitric acid 0 ≤ c ≤ 0.648 hydrogen chloride 0 ≤ c ≤ 1.11
potassium chloride 0 ≤ c ≤ 0.691 D-manitol 0 ≤ c ≤ 0.150 potassium hydroxide 0 ≤ c ≤ 1.729
potassium permanganate 0 ≤ c ≤ 0.327 methanol 0 ≤ c ≤ 0.621 1-propanol 0 ≤ c ≤ 0.166
silver nitrate 0 ≤ c ≤ 0.641 sodium acetate 0 ≤ c ≤ 0.371 sodium bromide 0 ≤ c ≤ 0.610
sodium chloride 0 ≤ c ≤ 0.885 sodium nitrate 0 ≤ c ≤ 0.607 sodium phosphate 0 ≤ c ≤ 0.535
sucrose 0 ≤ c ≤ 0.10 urea 0 ≤ c ≤ 0.450 sulfuric acid 0 ≤ c ≤ 0.526
a) Ref [38]

Group 1: the solute molecules which follow Equation (13) group, has free electron pair and free electrons, compared
[Kref(calc) = Kexp(exp)]. These molecules (such as glycerol, to bonding electrons, generate a stronger magnetic field.
propanediol, butane-1, 3-diol, butane-1, 4-diol, It must be taken into account in Eq.(13), N(-O-)
pentaerythritol, D-fructose, D-glucose, D-mannitol) have can be several groups and/or atoms of solute molecules
two or more hydroxyl agents and/or oxygen atoms and that can generate hydrogen bond with solvent molecules.
also, have R- group and/or groups with two or more
carbon atoms (C3, C4, C5,….). These R- groups have Application of Equations (11), (12), and (13)
a good electron donor effect. There are some equations to fit refractive indices data
Group 2: the solute molecules which have a negative of aqueous solutions but Equations (11) and (12) are important
deviation from Equation (13). For these molecules, for fitting refractive indices data of aqueous solutions
the value of experimental Kref is less than calculated Kref. because the parameters of these equations (Kref) help us
These molecules have R- the group with small size, to a better understanding of interactions between solvent
electron acceptor agents, and also, low number of and solute molecules [14]. The interaction between
hydroxyl agents (such as methanol and ethanol). Of course, solute and solvent molecules increases as the value of Kref
ethylene glycol has a negative deviation from Eq.(13), increases.
but in a low amount. We can put the molecules with carbonyl
agents (such as acetone, acetic acid, and citric acid) Determination of refractive index of aqueous solutions
in group 2. Also, the molecules which have –R group For aqueous solutions of alkane polyols (n = 2 to 6 –OH,s)
with seven or more carbons and also, disaccharides (like and monosaccharides, we can calculate the value of Kref
maltose) can be classified as group 2 (please see Table 1). for solutes by Equation (13) and then calculate
Group 3: the solute molecules which have a positive refractive indices at various molar concentrations by
deviation from Equation (13) (such as 1-amino-2-propanol Equations (11) or (12) with high accuracy (%RD < 0.15).
and urea). For these molecules, the value of experimental Please see Table 4. Using Equations (13), (11) or (12),
Kref is more than calculated Kref. In this group, molecules there is no need to refractometer for determination
have agents such as –NH2. The nitrogen atom, an amino of refractive indices of the mentioned aqueous solutions.

230 Research Article


Iran. J. Chem. Chem. Eng. Modeling of Refractive Indices for Binary Aqueous Solutions ... Vol. 38, No. 5, 2019

Determination of molar concentration of aqueous solutions Therefore, in an aqueous solution of alkane polyols and
For aqueous solutions of alkane polyols [R-(OH)n, monosaccharides, the hydrogen bond which is formed
n = 2 to 6 -OHs) and monosaccharides, with having between solute and solvent molecules, HB(solu-solv), is
theoretical Kref (obtained by Equation 13) and stronger than hydrogen bond between solvent molecules,
experimental refractive index, we can determine molar HB(solv-solv).
concentration using the following equation: The second subject, in alkane polyols, the mass of –R
n exp  n 0 (solute molar mass) mostly increases with increasing
c (15) of the number of hydroxyl agents.
K ref  calcul 
We can reach to the below proportionality with
Where, Kref(calcul) is calculated using Equation (13) and nexp considering two above subjects:

Strength of HB    N  
and n0 are the experimental refractive index
of aqueous solution and solvent, respectively. As can be seen solu solv  O  (17)
in Table 4, Equation 15 can be used for the determination of
The proportionality 18 can be obtained by
the molar concentration of alkane polyols (n = 2 to 6 –OH,s)
combination proportionalities 16 and 17:
and monosaccharides aqueous solutions. The values of %RD
for these determinations are less than 2. Equation 15 gives
good results (uncertainty of ±0.001 to ±0.005) especially in
Strength of HB solu solv    M WSolute  
and N O   (18)

low and moderate concentration (between 0.1 and 1 mol/L). Equation (13) shows that Kref depends on MW(solute)
For these solutions, the refractive index can be a good tool for and N(-O-). The Kref,s for 1-propanol, 1,3 propandiol, glycerol,
the determination of concentration. and also, ethanol and ethylene glycol show that the value
of Kref increases (about 0.0026) when the one hydroxyl
group is inserted to –R group.
Study on interaction between solute and solvent
Comparison of Equation (13) and proportionality (18)
molecules
results to the below:
The parameter Kref (from Equation (13)) can show the
strength of the interaction between solvent and solute  Kref    strength of HBsolu solv   (19)
molecules.
The –R group in alkane polyols, [R(OH)n], have Proportionality (19) shows that in an aqueous solution
an electron donor effect on the oxygen atom of hydroxyl of alkane polyols, the value of Kref can indicate the
agents, and this effect increases by increasing the mass of strength of hydrogen bond which is formed between
–R group (or mass of solute molecules). In these molecules, solute and solvent molecules, HB(solu-solv). The strength of
the negative charge (-δ) of the oxygen atom (from hydroxyl HB(solu-solv) increases as the value of Kref increases.
agent) increases as the molar mass of solute increases. The Kref can be used in industrial and research fields.
It means that in alkane polyols and monosaccharides, It is well known that the H-bondings play an important
the strength of hydrogen bond which is formed between role in many organic components and their solutions
solute and solvent molecules, HB(solu-solv), increases which are used in various industries such as pharmacy [48-50],
by increasing the molar mass of solutes. Therefore, food [51,52], detergents and cleaners [53,54].
in an aqueous solution of alkane polyols and monosaccharides: In research works, HB(solu-solv) is a good tool for
investigating interactions between molecules
(Strength of HB(solu-solv))(molecular weight of solute) (16)
in aqueous solutions which have hydroxyl and/or
Two subjects should be considered when the number carboxyl agents [14,55,56]. Of course, in research work,
of hydroxyl agents, N(-O-), increases in alkane polyols and a nonclassical HB (hydrogen bonding involving
monosaccharides. The first subject, the number of HB(solu-solv) a B–H···π interaction) was described [57].
increases when the number of hydroxyl agents, in various As it was mentioned, in aqueous solutions, the Kref
solute molecules, increases. It should be noted that shows the strength of HB(solu-solv) and it can be used in research
the electron donor effect of –R groups (C2Hn, C3Hn, C4Hn, etc) works. For example, we can investigate positive and
is more than the electron donor effect of the hydrogen atom. negative deviations from Equation (13).

Research Article 231


Iran. J. Chem. Chem. Eng. Koohyar F. & Kiani F. Vol. 38, No. 5, 2019

Table 4: The values of calculated molar concentration (by Equation (15)) also, experimental and calculated refractive indices
(by Equation (11)), n, for aqueous solutions of some polyol(s) in various molar concentration.

ccalcul(mol/L)c cexp(mol/L) nexp ncalcb RD (%) for n RD (%) for c

Water + Glycerol (at 293.15 K)

0.330 0.327a 1.3365a 1.3365 0.0000 0.9174

0.774 0.771a 1.3412a 1.3412 0.0000 0.3891

1.113 1.109a 1.3448a 1.3448 0.0000 0.3607

2.047 2.035a 1.3547a 1.3546 0.0074 0.5897

3.264 3.242a 1.3676a 1.3674 0.0146 0.6786

5.349 5.300a 1.3897a 1.3892 0.0360 0.9245

Water +D-mannitol (at 293.15 K)

0.111 0.110a 1.3359a 1.3359 0.0000 0.9091

0.226 0.222a 1.3389a 1.3388 0.0075 1.8018

0.448 0.451a 1.3447a 1.3448 0.0074 0.6652

0.563 0.567a 1.3477a 1.3478 0.0074 0.7055

0.674 0.686a 1.3506a 1.3509 0.0222 1.7493

0.789 0.806a 1.3536a 1.3540 0.0300 2.1092

Water + 1-propanol (at 293.15 K)

0.482 0.496a 1.3357a 1.3358 0.0075 2.8226

0.982 0.987a 1.3385a 1.3385 0.0000 0.5069

1.500 1.474a 1.3414a 1.3413 0.0075 1.7639

2.625 2.595a 1.3477a 1.3475 0.0148 1.1561

3.214 3.223a 1.3510a 1.3510 0.0000 0.2792

3.732 3.838a 1.3539a 1.3545 0.0443 2.7619

Water + D-glucose (at 293.15 K)

0.221 0.225a 1.3387a 1.3388 0.0075 1.7778

0.512 0.516a 1.3462a 1.3463 0.0074 0.7752

0.698 0.697a 1.3508a 1.3510 0.0148 0.1435

0.934 0.944a 1.3571a 1.3574 0.0221 1.0593

1.060 1.070a 1.3603a 1.3606 0.0221 0.9346

1.310 1.329a 1.3668a 1.3673 0.0366 1.4296

232 Research Article


Iran. J. Chem. Chem. Eng. Modeling of Refractive Indices for Binary Aqueous Solutions ... Vol. 38, No. 5, 2019

Table 4: The values of calculated molar concentration (by Equation (15)) also, experimental and calculated refractive indices
(by Equation (11)), n, for aqueous solutions of some polyol(s) in various molar concentration.
ccalcul(mol/L)c cexp(mol/L) nexp ncalcb RD (%) for n RD (%) for c

Water + D-Fructose (at 293.15 K)


a
0.279 0.283 1.3402a 1.3403 0.0075 1.4134

0.508 0.517a 1.3461a 1.3464 0.0223 1.7408

0.806 0.820a 1.3538a 1.3542 0.0295 1.7073


a a
1.178 1.201 1.3634 1.3640 0.0440 1.9151

1.566 1.600a 1.3734a 1.3743 0.0655 2.1250


a a
1.833 1.878 1.3803 1.3815 0.0869 2.3962

1,3-Propandiol (at 298.15 K)

1.2875 1.3188d 1.3428d 1.3431 0.0223 2.3734


d d
2.6500 2.6569 1.3537 1.3538 0.0074 0.2597

5.4375 5.3950d 1.3760d 1.3757 0.0218 0.7878

8.2250 8.1987d 1.3983d 1.3981 0.0143 0.3208

butane-1, 3-diol (at 298.15 K)

1.010 1.0282e 1.3430e 1.3432 0.0149 1.7701


e e
2.290 2.3244 1.3558 1.3561 0.0221 1.4800

butane-1, 4-diol (at 298.15 K)

2.340 2.3239e 1.3563e 1.3561 0.0148 0.6928


e e
6.230 6.2848 1.3952 1.3957 0.0358 0.8719

Pentaerythritol (at 298.15 K)

0.364 0.3708f 1.3390f 1.3391 0.0075 1.8339


a) Ref [38]; b) Eq. 26; c) Eq. 30; d) Ref [59]; e) Ref [61]; f) Ref [58]

As can be seen in Table 1, 1-amino-2-propanol has can be due to the existing two amine groups.
positive deviation from Equation 13 (Kref(exp) > Kref(calc)). On the other hand, Table 1 shows that some solute
The molecular structure of 1-amino-2-propanol is similar molecules have a negative deviation from Equation (13)
to 1,2- propandiol but there is a difference between (Kref(exp) < Kref(calc)). It can be due to having agents which
structures of these two molecules. 1,2-propandiol has generate HB(solv-solu) with less strength than hydroxyl agent.
two hydroxyl agents while 1-amino-2-propanol has one It can be observed in Table 1 that acetone, citric acid, and
hydroxyl and one amine agent. The oxygen atom ethanol have a notable negative deviation from Equation (13).
(in hydroxyl agent) is more electronegative than nitrogen This deviation for acetone is about - 0.001 and
atom (in amine agent). It means that the free electron pair it can be due to the existing carbonyl group (-C=O).
in the amine group is more available (for production of In aqueous solutions, hydroxyl (from solute molecules)
hydrogen bonding) than that of hydroxyl agent. Therefore, can form three hydrogen bonds (two O solute·····Hsolvent and
the strength of HB[(H)2N·····H-O-H] is more than one Hsolute·····Osolvent) while carbonyl (from solute
HB[R(H)O·····H-O-H]. It can be the reason for this positive molecules) can form two hydrogen bonds (two
deviation. This deviation is +0.002 for 1-amino-2-propanol. Osolute·····Hsolvent). Therefore, the power of the bond
Also, the area has a positive deviation (+0.0024) from between the carbonyl group and water can be less than t
Equation 13 (please see Table 1). This positive deviation hat of between hydroxyl group and the water molecule.

Research Article 233


Iran. J. Chem. Chem. Eng. Koohyar F. & Kiani F. Vol. 38, No. 5, 2019

(a) (b)
Fig. 3: The molecular structures of acetic acid (a) and maltose (b).

We can see in Table 1 that the acetic acid (Fig. 3a) of interaction between solute and solvent molecules.
has a negative deviation from Equation (13) (-0.0016). Two important cases must be noted for better comparison
It can be due to the existing one carbonyl group that is between Kref of different molecules. First, this comparison
attached to hydroxyl agent (-COOH). It appears that 0.0015 must be done in a homologous series of chemicals. Second,
negative deviation (from Equation (13)) occurs per each this comparison must be done in the same concentration of
acidic group (-COOH). Citric acid has three acidic groups solutes (for instance, in 0.5 or 1 mol/L). Other components
and shows –0.0045 deviations from Equation (13). Also, show negative or positive deviation from this equation
lactic acid has one acidic group and shows about -0.0015 (Equation (13)). Components with negative deviation have
deviation from Equation (13) (please see Table 1). agents which generate weaker HB(solu-solv) than hydroxyl
Of course, these are weak acids and it guesses that group. Components with positive deviation have agents
the deviation from Equation (13) is too high for strong acids. which generate stronger HB(solu-solv) than hydroxyl group.
Also, there is a negative deviation (from Equation (13)) This information can help us to a better understanding
for maltose. The value of this deviation is about -0.01 of interaction between solutes and solvents in solutions.
(Please see Table 1). As can be seen in Fig. 3b,
the molecule of maltose has 8 hydroxyl groups as well as Nomenclature
3 oxygen atoms. In this molecule, the intramolecular n Refractive index, –
hydrogen bonds can be formed between various hydrogen ρ Density, kg/m3
and oxygen atoms of maltose. For a solute molecule, Kref -, L/mol
the number of hydrogen bonds between solute and Mw Molar mass, kg/mol
solvent molecules can decrease with an increasing c Molar concentration, mol/L
number of intramolecular hydrogen bonds. T Temperature, K
The relative deviation (RD) for refractive indices,
concentration, and Kref can be calculated by: Received : Dec. 19, 2017 ; Accepted :Jul. 30, 2018

Xexperimental  Xcalculted
%RD  100 % (20) REFERENCES
Xexperimental
[1] Tan C.Y., Huang Y.X., Dependence of Refractive
The acceptable range of relative deviation for high Index on Concentration and Temperature in
accuracy experiments can be (0 ≤ %RD ≤ 2). Electrolyte Solution, Polar Solution, Nonpolar
It must be taken into account in Eq. (13), N(-O-) can Solution, and Protein Solution, Chem. Eng. Data.,
be the number of groups and/or atoms of solute molecules 60: 2827-2833 (2015).
that can generate hydrogen bond with solvent molecules. [2] Koohyar F., Refractive Index and Its Applications.
J. Thermodyn. Catal. 4:e117. doi:10.4172/2157-
CONCLUSIONS 7544.1000e117 (2012).
In this research work, we used a linear equation [3] Dopazo G.A., González-Temes M., López D.L.,
for calculation of refractive indices for alkane polyols Mejuto J.C., Density, Viscosity and Refractive Index
[R(OH)n, n = 2 to 6 –OH,s], and polyols with one ring Prediction of Binary and Ternary Mixtures Systems
(monosaccharides) at constant temperature and pressure. of Ionic Liquid. Mediterr. J. Chem., 3: 972-986
The constant of this equation, Kref, can show the power (2014).

234 Research Article


Iran. J. Chem. Chem. Eng. Modeling of Refractive Indices for Binary Aqueous Solutions ... Vol. 38, No. 5, 2019

[4] Galvãoa A.C., Robazza W.S., Rodriguesa D., [14] Koohyar F., Rostami A.A., Chaichi M.J., Kiani F.,
Refratometric Study of Ternary Mixtures Formed Refractive Indices, Viscosities, and Densities for L-
by Water, Glucose and Acetonitrile at Temperatures Cysteine Hydrochloride Monohydrate + D-Sorbitol
Ranging from 293 K to 333 K. Phys. Chem. Liq., 54: + Water, and Glycerol + D-Sorbitol + Water in the
56-61 (2016). Temperature Range Between T = 303.15 K and T = 323.15 K,
[5] Carvalho P.J., Fonseca C.H.G., Moita M.L.C.J., J. Solution. Chem., 40: 1361-1370 (2011).
Santos A.F.S., Coutinho J.A.P., Thermophysical [15] Gomaa E.A., Tahoon M.A., Arafa A.T., Refractive
Properties of Glycols and Glymes. J. Chem. Eng. Indices and Their Related Properties for Adipic Acid
Data., 60: 3721-3737 (2015). in Mixed Aqueous Methanol Solvents at Different
[6] Lakshmi K., Rajesh T., Determination of Voglibose Temperatures, AASCIT Communications., 3: 43-48
in Pharmaceutical Formulations by High Performance (2016).
Liquid Chromatography Using Refractive Index [16] Wayne R., Deriving the Snel–Descartes Law
Detection. Eur. J. Chem., 1: 262-265 (2010). for a Single Photon, Turk. J. Phys., 38: 26- 38 (2014).
[7] Shah R.Y., Agrawal Y.K., Introduction to Fiber [17] Saleh B.E.A., Teich M.C., “Fundamentals of
Optics: Sensors for Biomedical Applications. Indian Photonics”, John Wiley & Sons, Inc. Chapter 5
J. Pharm. Sci., 73: 17-22 (2011). (1991).
[8] Okullo J.B.L., Omujal F., Agea J.G., Vuzi P.C., [18] Padilla W.J., Basov D.N., Smith D.R., Negative
Namutebi A., Okello J.B.A., Nyanzi S.A., Physico- Refractive Index Metamaterials, Materialstoday., 9:
chemical Characteristics of Shea Butter 28-35 (2006)
(Vitellariaparadoxa C.F. Gaertn.) Oil from [19] Armghan A., Hu X., Yuan S., Xia J., Negative
the Sheadistrics of Uganda. Afr. J. Food, Agric., Refractive Index Metamaterial Structure Using SRR
Nutr. Dev., 10: 2070-2084 (2010). by Incidentingthe Light Horizontally. J.
[9] Ibeto C.N., Okoye C.O.B., Ofoefule A.U., Electromagn. Anal. Appl., 7: 276-282 (2015).
Comparative Study of the Physicochemical [20] Tianqian L., Guangjun W., Yongjun H., Kang X.,
Characterization of Some Oils as Potential A Magnetotunable Negative Refractive Index Material,
Feedstock for Biodiesel Production. ISRN Int. J. Math., Phys. Eng. Sci., 6: 4031-4035 (2011).
Renewable Energy., Article ID 621518, 5 Pages, [21] Veselago, V.G., The Electrodynamics of Substances
2012. doi:10.5402/2012/621518 (2012). with Simultaneously Negative Values of of ε and μ,
[10] Ahluwalia G.S., “Cosmetics Applications of Laser Sov. Phys. Usp. 10: 509-514 (1968).
and Light-based Systems. A Volume in Personal [22] Pendry, J.B., Holden, A.J., Stewart, W.J., Youngs, I.,
Care and Cosmetic Technology”, William Andrew Extremely low frequency plasmonics in
(Elsevier). NY, United States (2009). metallicmesostructures, Phys. Rev. Lett., 76: 4773-
[11] Gholami A., Ansari H.R., Hosseini S.S., Prediction 4776 (1996).
of Crude Oil Refractive Index Through Optimized [23] Smith, D.R., Padilla, W.J., Vier, D.C., Nemat-
Support Vector Regression: a Competition Between Nasser, S.C. Schultz, S., Composite Medium with
Optimization Techniques. J. Pet. Explor. Prod. Simultaneously Negative Permeability and
Technol., 7: 195-204 (2017). Permittivity, Phys. Rev. Lett., 84: 4184-4187 (2000).
[12] Sun J.Z., Erickson M.C., Parr J.W., Refractive Index [24] Scalettar B.A., Swedlow J.R., Sedat J.W., Agard D.A.,
Matching and Clear Emulsions. J. Cosmet. Sci., 56: Dispersion, Aberration and Deconvolution in Multi-
253-265 (2005). Wavelength Fluorescence Images, J. Micros., 182:
[13] Shekaari H., Jebali F., Densities, Viscosities, 50-60 (1996).
Electrical Conductances, and Refractive Indices of [25] Pavia D.L., Kriz G.S., Lampman G.M., Engel R.G.,
Amino Acid + Ionic Liquid ([BMIm]Br) + Water “A Small Scale Approach to Organic Laboratory
Mixtures at 298.15 K. J. Chem. Eng. Data., 55: Techniques:, Fourth Edition, Cengage Learning,
2517-2533 (2010). USA (2011).

Research Article 235


Iran. J. Chem. Chem. Eng. Koohyar F. & Kiani F. Vol. 38, No. 5, 2019

[26] Shekaari H., Jebali F., Densities, Viscosities, [38] Lide D.R., “CRC handbook of Chemistry and
Electrical Conductances, and Refractive Indices of Physics”, 84th Edition, CRC Press, USA (2003-
Amino Acid + Ionic Liquid ([BMIm]Br) + Water 2004).
Mixtures at 298.15 K. J. Chem. Eng. Data., 55: [39] Deosarkar, S.D., Deoraye S.M., Kalyankar T.M.,
2517-2523 (2010). Temperature and Concentration Dependences of
[27] Tan C.Y., Huang Y.X., Dependence of Refractive Density and Refraction of Aqueous Duloxetine
Index on Concentration and Temperature in Solutions, Russ. J. Phys. Chem. A., 88: 1129-1132
Electrolyte Solution, Polar Solution, Nonpolar (2014).
Solution, and Protein Solution. J. Chem. Eng. Data., [40] Deosarkar, S.D., Wanale S.G., Shelke M.P.,
60: 2827-2833 (2015). Apparent Molar and Partial Molar Volumes of
[28] Lorimer J.W., Refractive Index Increments of Aqueous Ceric Ammonium Nitrate Solutions at
Polymers in Solution: 3. Dependence on 20, 25, 30, and 35°C, Russ. J. Phys. Chem. A., 88:
Concentration. Polymer. 13: 274-276 (1972). 1124-1128 (2014).
[29] Bai K, Katz J. On the Refractive Index of Sodium [41] Deosarkar S.D., Sawale R.T. Tawde P.D., Kalyankar T.M.,
Iodide Solutions for Index Matching in PIV. Exp. Solution Behavior of Metoclopramide in Aqueous-
Fluids. 55: 1704: 6 pages (2014). Alcoholic Solutions at 30°C, Russ. J. Phys. Chem.
[30] Li J., Prestidge C.A., Addai-Mensah J., Viscosity, A., 90: 1362-1366 (2016)
Density, and Refractive Index of Aqueous Sodium [42] Deosarkar S.D., Pawar M.P., Arsule A.D., Sawale R.T.,
and Potassium Aluminate Solutions. J. Chem. Eng. Kalyankar T.M., Volumetric and Optical Properties
Data., 45: 665-671 (2000). of ACE Inhibitor Captopril Drug in Aqueous-
[31] Chen J., Chen X., Xu R., Zhu Y., Shi Y., Zhu X., Alcoholic Mixtures, J. Taibah. Univ. Sci., 11: 815-
Refractive Index of Aqueous Solution of CdTe 821 (2017).
Quantum Dots. Opt. Commun., 281: 3578-3580 (2008). [43] Deosarkar S.D., Birajdar S.S., Sawale R.T., Pawar M.P.,
[32] Koralewski M., Bodek K.H., Marczewska K., Thakre A.M., Density and Optical Properties of
“Optical Properties of Chitosan in Aqueous Solution”, {Ciprofloxacin Hydrochloride + Aqueous-Ethanol}
Polish Chitin Society, Monograph XI 29-39 (2006). Mixtures at 30 °C, J. Thermodyn., vol. 2016, Article
[33] Proutiere A., Megnassan E., Hucteau H., Refractive ID 1575836, 4 pages, 2016.
Index and Density Variations in Pure Liquids: [44] Sawale R.T., Kalyankar T.M., George R., Deosarkar S.D.,
A New Theoretical Relation, J. Phys. Chem., 96: Molar Refraction and Polarizability of Antiemetic
3485-3489 (1992). Drug 4-Amino-5-Chloro-N-(2-
[34] Gharagheizi F., Ilani-Kashkouli P., Kamari A., (Diethylamino)Ethyl)-2 Methoxybenzamide
Mohammadi A.H., Ramjugernath D., Group Hydrochloride Monohydrate in {Aqueous-Sodium
Contribution Model for the Prediction of Refractive or Lithium Chloride} Solutions at 30°C, J. Appl.
Indices of Organic Compounds, J. Chem. Eng. Pharm. Sci., 6: 120-124 (2016).
Data., 59: 1930-1943 (2014). [45] Gubskaya A.V., Kusalik P.G., The Total Molecular
[35] Gladstone J.H., Dale T.P., Researches on The Dipole Moment for Liquid Water. J. Chem. Phys.,
Refraction, Dispersion and Sensitiveness of Liquids, 117:5290-5302 (2002).
Phil. Trans. 153: 317-343 (1863). [46] Rizk H.A., Elanwar M., Dipole Moments
[36] Han s., Du C.B., Jian X., Meng L., Ren-Jie X., Jian W., of Glycerol, Isopropyl Alcohol, and Isobutyl
Zhao H.K., Density, Viscosity, and Refractive Index of Alcohol, Can. J. Chem., 46: 407-513 (1968).
Aqueous Solutions of Sodium Lactobionate. J. Chem. [47] Chang, R. "Chapter 13: Intermolecular Forces/ Ion-
Eng. Data., 61, 731-739 (2016). Induced Dipole and Dipole-Induced Dipole
[37] Ali A., Bidhuri P., Malik N.A., Uzair S., Density, Interactions/ Dispersion, or London, Interactions",
Viscosity, and Refractive Index of Mono-, Di-, and Tri- Physical Chemistry for the Biosciences.
Saccharides in Aqueous Glycine Solutions at Different Sansalito, CA: University Science, 2005. 495-498.
Temperatures. Arabian J. Chem., 55, 1-11. Print.

236 Research Article


Iran. J. Chem. Chem. Eng. Modeling of Refractive Indices for Binary Aqueous Solutions ... Vol. 38, No. 5, 2019

[48] Chakraborty M., Bawuah P., Tan N., Ervasti T, [60] Rayer A.V., Kadiwala S., Narayanaswamy K., Henni A.,
Pääkkönen P., Zeitler J.A., Ketolainen J., Peiponen K.E., Volumetric Properties, Viscosities, and Refractive
On the Correlation of Effective Terahertz Refractive Indices for Aqueous 1-Amino-2-Propanol
Index and Average Surface Roughness of (Monoisopropanolamine (MIPA)) Solutions from
Pharmaceutical Tablets, J. Infrared, Millimeter, (298.15 to343.15) K, J. Chem. Eng. Data., 55: 5562-
Terahertz Waves., 37:776-785 (2016). 5568 (2010).
[49] Parikh A., Agarwal S., Raut K., A Review [61] Piekarski H, Jóźwiak M.G., Woźnicka J., Bald A.,
on Applications of Maltodextrin in Pharmaceutical Szejgis A. Some Physicochemical Properties of
Industry, Int. J. Pharm. Biol. Sci., 4: 67-74 (2014). Aqueous Solutions of Isomeric Butanediols, Phys.
[50] Adsmond D.A., Grant D.J., Hydrogen Bonding Chem. Liq., 30: 195-207 (1995).
in Sulfonamides, J. Pharm. Sci., 90: 2058-2077
(2001).
[51] Kumar S., Pandey A.K., Chemistry and Biological
Activities of Flavonoids: An Overview, Sci. World J.,
Article ID 162750, 16 pages (2013).
doi:10.1155/2013/162750
[52] Dhingra D., Michael M., Rajput H., Patil RT.,
Dietary Fibre in Foods: A Review, J. Food. Sci.
Technol., 49: 255-266 (2012).
[53] Oakenfull D.G., Fisher L.R., The Role of Hydrogen
Bonding in the Formation of Bile Salt Micelles,
J. Phys. Chem., 81: 1838-1841 (1977).
[54] Genuino H.C., Opembe N.N., Njagi E.C., McClain S.,
Suib S.L., A Review of Hydrofluoric Acid and Its
Use in the Car Wash Industry, J. Ind. Eng. Chem.,
18: 1529-1539 (2012).
[55] Fucke K., Steed J.W., X-ray and Neutron Diffraction
in the Study of Organic Crystalline Hydrates,
Water., 2: 333-350 (2010).
[56] Claudio A.F.M., Swift L., Hallett J.P.,Welton T.,
Coutinho J.A.B., Freire M.G., Extended Scale
for the Hydrogen-Bond Basicity of Ionic Liquids,
Phys. Chem. Chem. Phys., 16: 6593-6601 (2014).
[57] Zhang X., Dai H., Yan H., Zou W., Cremer D.,
B–H···π Interaction: A New Type of Nonclassical
Hydrogen Bonding, J. Am. Chem. Soc., 138: 4334–
4337 (2016).
[58] Rogers J.F., Farazmand H., Creasy D.E., Solubility,
Density, and Refractive Index of Aqueous Solutions
of Pentaerythritol, J. Chem. Eng. Data., 19: 118-120
(1974).
[59] Lee J.W., Park S.B., Lee H., Densities, Surface
Tensions, and Refractive Indices of the Water + 1,3-
Propanediol System, J. Chem. Eng. Data., 45: 166-
168 (2000).

Research Article 237

You might also like