Theoretical Prediction of Thermodynamic Functions of TiC: Morse Ring-Shaped Potential

A shifted Morse potential model is modified to fit the study of the vibrational energies of some molecules. Using a traditional technique/methodology, the vibrational energy and the un-normalized radial wave functions were calculated for the modified shifted Morse potential model. The condition that fits the modified potential for molecular description were deduced together with the expression for the screening parameter. The vibrational energies of SiC, NbO, CP, PH, SiF, NH and Cs2 molecules were computed by inserting their respective spectroscopic constants into the calculated energy equation. It was shown that the calculated results for all the molecules agreement perfectly with the experimental RKR values. The present potential performs better than Improved Morse and Morse potentials for cesium dimer. Finally, the real Morse potential model was obtained as a special case of the modified shifted potential.

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“…( 1 ), has received attentions on different molecules 20 , 21 . In 22 , 23 . The Morse potential model in Eq.…”

Section: Introductionmentioning

confidence: 99%

Non-relativistic molecular modified shifted Morse potential system

Onate

Okon

Vincent

et al. 2022

Sci Rep

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“…Quite a number of diatomic molecule oscillators have been used to describe the internal vibration of diatomic and triatomic molecules. With the help of this representation, various analytical equations have been derived and used to predict the thermal properties of a substance [4][5][6][7][8][9][10][11][12][13][14][15][16][17][18][19][20][21][22].…”

Section: Introductionmentioning

confidence: 99%

Thermodynamic functions of the improved Scarf II oscillator

Eyube

Dlama

Nyam

et al. 2022

Preprint

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In this study, the improved Scarf II oscillator was used to model the internal vibration of a diatomic molecule. By employing the equation of energy levels of the oscillator, the canonical partition function was obtained and used to derive analytical expressions for the prediction of molar entropy, enthalpy and isobaric heat capacity of substances. The thermodynamic models were used to analyze the thermodynamic properties of some diatomic molecules including BBr, PN, PO, and PCl. The average absolute deviation from experimental data was used to affirm the suitability of the models. The expression for the reduced molar enthalpy yielded an average absolute deviation of 1.0945%, 1.6959%, 1.0013%, and 1.0945% for the molecules. Average deviations of 1.3053%, 1.5024%, 1.3838%, and 0.7490% were also obtained using the heat capacity model. These results are in good agreement with the existing literature data on selected diatomic molecules.

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“…The analytical and/or numerical solutions of the Schrödinger equation in a magnetic field have been investigated by many scientists in recent years [6][7][8][9]. Khordad et al [10] have solved analytically the Schrödinger equation for the Morse ring-shaped potential by using the Pekeris approximation. They have used NU procedure to determine the thermodynamic properties of the T iC diatomic molecule.…”

Section: Introductionmentioning

confidence: 99%

Thermodynamic properties of a charged particle in non-uniform magnetic field

2021

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We solve the Schrödinger equation for a charged particle in the non-uniform magnetic field by using the Nikiforov-Uvarov method. We find the energy spectrum and the wave function, and present an explicit relation for the partition function. We give analytical expressions for the thermodynamic properties such as mean energy and magnetic susceptibility, and analyze the entropy, free energy and specific heat of this system numerically. It is concluded that the specific heat and magnetic susceptibility increase with external magnetic field strength and different values of the non-uniformity parameter, α, in the low temperature region, while the mentioned quantities are decreased in high temperature regions due to increasing the occupied levels at these regions. The non-uniformity parameter has the same effect with a constant value of the magnetic field on the behavior of thermodynamic properties.On the other hand, the results show that transition from positive to negative magnetic susceptibility depends on the values of non-uniformity parameter in the constant external magnetic field.

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Theoretical Prediction of Thermodynamic Functions of TiC: Morse Ring-Shaped Potential

Cited by 48 publications

References 58 publications

Non-relativistic molecular modified shifted Morse potential system

Non-relativistic molecular modified shifted Morse potential system

Thermodynamic functions of the improved Scarf II oscillator

Thermodynamic properties of a charged particle in non-uniform magnetic field

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