scholarly journals The validity of the potential model in predicting the structural, dynamical, thermodynamic properties of the unary and binary mixture of water-alcohol: Methanol-water case

AIP Advances ◽  
2018 ◽  
Vol 8 (6) ◽  
pp. 065203 ◽  
Author(s):  
Abdalla Obeidat ◽  
Hind Abu-Ghazleh
Keyword(s):  
Thermodynamic Properties ◽  
Binary Mixture ◽  
Potential Model ◽  
Water Alcohol

scholarly journals Thermodynamic properties of 1-ethyl-3-methylimidazolium ethyl sulphate with nitrogen and sulphur compounds at T = (298.15 - 318.15) K and P = 1 bar

2016 ◽  
Author(s):  
◽  
Siyanda Brian Chule
Keyword(s):  
Refractive Index ◽  
Thermodynamic Properties ◽  
Binary Mixture ◽  
Binary Mixtures ◽  
Mole Fraction ◽  
Ethyl Acetoacetate ◽  
Binary Systems ◽  
Composition Range ◽  
Molar Refraction ◽  
The Ideal

In this work, the thermodynamic properties for the binary mixtures containing the ionic liquid (IL): 1-ethyl-3-methylimidazolium ethyl sulphate ([EMIM] [EtSO4]) were calculated. The binary systems studied were {pyridine (Py) or ethyl acetoacetate (EAA) or thiophene (TS) + [EMIM] [EtSO4]}. The results were interpreted in terms of the intermolecular interactions between the (pyridine + IL), (ethyl acetoacetate + IL), and (thiophene + IL) molecules. The physical properties: density, speed of sound, and refractive index were measured for the binary mixtures over the complete mole fraction range using an Anton Paar DSA 5000 M vibrating U- tube densimeter and an Anton Paar RXA 156 refractometer, respectively. The measurements were done at T = (298.15, 303.15, 308.15, 313.15, and 318.15) K and at p = 0.1 MPa. The experimental data was used to calculate the derived properties for the binary mixtures namely:- excess molar volume (V E ), isentropic compressibility (ks), molar refractions (R) and deviation in refractive index (Δn). For the binary mixtures, (Py or EAA or TS + IL), V E was negative throughout the whole composition range which indicates the existence of attractive intermolecular interaction between (pyridine + IL) and (ethyl acetoacetate + IL) for (thiophene + IL), V E was negative at low mole fraction of thiophene and became positive at high mole fraction of thiophene. For the binary mixtures (pyridine + IL), (ethyl acetoacetate + IL), ks was positive indicating that the binary mixtures were more compressible than the ideal mixture. For the binary mixture (thiophene + IL) ks was negative at low thiophene composition and positive at high composition indicating that the binary mixture was less compressible than the ideal mixture at low thiophene composition and more compressible at high composition of thiophene. The molar refraction, R, is positive for the (Py or EAA or TS + IL) binary systems at T = (298.15 – 318.15) K, molar refraction decreases as the organic solvent composition increases. For the binary mixture (pyridine + [EMIM] [EtSO4]), Δn is negative at mole fractions < 0.75 of pyridine and positive at mole fractions >0.75 at all temperatures and decreases with an increase in temperature. For the binary system (ethyl acetoacetate + [EMIM] [EtSO4]), Δn values are positive over the entire composition range and at all temperatures and increases with an increase in temperature. Δn values for the (thiophene + IL) system are negative for mole fractions of thiophene < 0.62 and becomes positive for mole fractions of thiophene > 0.62 and Δn increases with an increase in temperature. The Redlich-Kister smoothing equation was used successfully for the correlation of V E and Δn data. The Lorentz- Lorenz equation gave a poor prediction of V E , but a good prediction of density or refractive index.

scholarly journals Shannon entropy for Feinberg–Horodecki equation and thermal properties of improved Wei potential model

Open Physics ◽  
2021 ◽  
Vol 19 (1) ◽  
pp. 519-533
Author(s):  
Clement Atachegbe Onate ◽  
Michael Chukwudi Onyeaju ◽  
Ituen Bassey Okon
Keyword(s):  
Thermodynamic Properties ◽  
Shannon Entropy ◽  
Energy Equation ◽  
Potential Model ◽  
Wave Functions ◽  
Vibrational Entropy ◽  
Position Space ◽  
Energy Potential ◽  
One Dimensional ◽  
Uvarov Method

Abstract We solved a one-dimensional time-dependent Feinberg–Horodecki equation for an improved Wei molecular energy potential function using the parametric Nikiforov–Uvarov method. The quantized momentum and the corresponding wave functions were obtained. With the help of the wave functions obtained, we calculated Shannon entropy for both the position space and momentum space. The results were used to study four molecules. The results of Shannon entropy were found to be in excellent agreement with those found in the literature. For more usefulness of these studies, the quantized momentum obtained was transformed into an energy equation with certain transformations. The energy equation was then used to calculate some thermodynamic properties such as vibrational mean energy, vibrational specific heat, vibrational mean free energy, and vibrational entropy via computation of the partition function. The thermodynamic properties studied for CO, NO, CH, and ScH showed that for a certain range of the temperature studied, the molecules exhibited similar features except for the vibrational entropy.

T0501-2-5 The Effect of Intermolecular Potential Model on Thermodynamic Properties of Cryogenic Hydrogen

2010 ◽  
Vol 2010.8 (0) ◽  
pp. 89-90
Author(s):  
Hiroki NAGASHIMA ◽  
Takashi TOKUMASU ◽  
Shinichi TSUDA ◽  
Nobuyuki TSUBOI ◽  
A.Koichi HAYASHI
Keyword(s):  
Thermodynamic Properties ◽  
Potential Model ◽  
Intermolecular Potential

Thermodynamic properties of 1-alcohols in the two phase system water-alcohol-alkane.

1985 ◽  
Vol 20 ◽  
pp. 249-256 ◽  
Author(s):  
S. Backlund ◽  
H. Høiland ◽  
E. Ljosland ◽  
I. Vikholm
Keyword(s):  
Thermodynamic Properties ◽  
Phase System ◽  
Two Phase ◽  
System Water ◽  
Water Alcohol
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