Effect of electric field on thermodynamic properties of confined molecules

Lumb, Sonia; Prasad, Vinod; Sugny, Dominique

doi:10.1016/j.chemphys.2018.05.010

Cited by 9 publications

(5 citation statements)

References 51 publications

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“…• The closest to the maximum value allowed can be determined by putting the following condition dE/dn=0 [20][21][22][23][24][25][26]: following this condition, we obtain that…”

Section: The Behavior Of the Eigenvalues Of The Morse Potential In Thmentioning

confidence: 99%

“…Following its definition, the molecular vibrational partition function can be calculated by direct summation over all possible vibrational energy levels. Many efforts have been made to acquire explicit expressions of partition function for molecular potential energy models in diatomic and polyatomic molecules: in this context, and also in the non-relativistic case, the investigation of thermodynamic functions of some type of potentials such as Morse and improved Manning-Rosen potentials, improved Rosen-Morse and Tietz oscillators, through a partition function and its derivatives with respect to temperature, were an important field of research in the literature [9][10][11][12][13][14][18][19][20][21][22][23][24][25].…”

Section: Introductionmentioning

confidence: 99%

“…Based on the Poisson summation formula (see Appendix A) and in order to reduce the errors with the experimental results, he proposed an accurate closed-form expression for the partition function in the case of the Morse oscillator. His approach becomes a most useful method used to calculate the thermal properties of some diatomic molecules for a different type of potentials (see following Refs [9][10][11][12][13][14][18][19][20][21][22][23][24][25]). Recently, in the same context, another approach has been proposed: based on the Euler-Maclaurin formula (see Appendix A), the author has studied the case of the one-dimensional Morse potential in its q-deformed version: the results found are promising [26].…”

Section: Introductionmentioning

confidence: 99%

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Thermal properties of three dimensional Morse potential for some diatomic molecules via Euler-Maclaurin approximation

Chabi

Boumali

2019

Rev. Mex. Fís.

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The purpose of this study is to develop a method of calculating the vibration partition function of diatomic molecules for the Morse potential energy. After a brief introduction about the eigensolutions obtained for the problem in question, Via the Euler-Maclaurin formula, we have determined the thermal properties for four diatomics such as \text{H}_{2}, HCl, LiH, and CO. Different situation has been exposed and explained by the appropriate curves of the thermal properties for these diatomics molecules in consideration. In addition, we have shown that our method exposed to calculate these thermal properties can be used to determine these thermodynamic quantities.

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“…• The closest to the maximum value allowed can be determined by putting the following condition dE/dn=0 [20][21][22][23][24][25][26]: following this condition, we obtain that…”

Section: The Behavior Of the Eigenvalues Of The Morse Potential In Thmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 1 more Smart Citation

Thermal properties of three dimensional Morse potential for some diatomic molecules via Euler-Maclaurin approximation

Chabi

Boumali

2019

Rev. Mex. Fís.

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“…Some thermodynamic functions of several potential models' study are abounded [18][19][20][21][22][23][24][25][26]. However, their application to polyatomic molecules is scanty.…”

Section: Introductionmentioning

confidence: 99%

Analytical Solution of Non-Linear Oscillator and Thermal Properties of Interacting System of Real Polyatomic Molecules

MA,

2024

J Phy Math & its Appli

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The study examined the solution of nonlinear oscillator and thermal properties of interacting system of real polyatomic molecules. A nonlinear oscillator potential was substituted into the radial part of the Schrodinger wave equation and solved using the Frobenius method to obtain the energy eigenvalues of the system. The partition function and the energy eigenvalues are used to determine three thermal properties for four polyatomic molecules which showed that added energy is required in the absence of the nonlinear term as the orbital and magnetic quantum numbers are increased and degeneracy completely removed. Other findings also reveal that as the virial coefficients of the four polyatomic molecules vary, the additive property of entropy is observed as well as the enhancement of the mean energy approximately proportional to the volume of the molecules. The four polyatomic molecules under consideration are environmentally impactful and are indispensable to man.

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“…The thermal properties of a system, comprising of a spinless non-interacting charged particle in the presence of a constant external magnetic field and confined in a parabolic quantum well have been studied by Mishra et al [27]. The study of electric field effect on the thermodynamic properties of a spatially confined diatomic molecule has been presented by Lumb et al [28]. Very recently, Vitória's group studied the thermodynamics properties of a quantum particle confined into two elastic concentric spheres [29]; Ghanbari and Khordad studied the thermodynamic properties of several diatomic molecules confined by Tietz-Hua potential [30], it was found that the Tietz-Hua potential model was a suitable case to predict thermodynamic functions of H 2 , HF, I 2 , N 2 and O 2 molecules at wide ranges of temperatures.…”

Section: Introductionmentioning

confidence: 99%

Influence of the spatially inhomogeneous electric field on the thermodynamic property of the particle confined in a quantum well

Li¹,

Wang²,

He³

et al. 2022

Phys. Scr.

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The effect of the spatially inhomogeneous electric field on the quantum thermodynamic property of the particle confined in a quantum well has been investigated theoretically. The Schrodinger equation was solved for the particle subjected to a spatial confinement by an inhomogeneous electric field and energy eigen-values were obtained. Using the energy eigen-values, we have calculated the average energy, free energy, entropy, and heat capacity of this system. As an important parameter in the inhomogeneous electric field, the inhomogeneity gradient of the field plays an important role. Compared with the spatially homogenous electric field, some novel quantum effect appears. The energy eigen-value for the particle corresponding to each bound state increases as the inhomogeneity gradient increases, resulting in the increase of the average energy, free energy, and heat capacity; however, the entropy, which measures the disorder of the particle confined in the inhomogeneous field, gradually decreases with the increase of the inhomogeneity gradient. In addition, the confinement effect of the quantum well on the thermodynamic properties of this system has also investigated in great detail. The results show that the larger size of the quantum well is, the stronger the influence of inhomogeneous field becomes, which makes the thermodynamic properties of the particle in the spatially inhomogeneous field quite different from those in the homogeneous field. Our work may provide some references for the future research on the thermodynamic property of the confined atom and molecule in the inhomogeneous field and has some practical applications in statistical physics, chemical physics, and condensed physics, etc.

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Effect of electric field on thermodynamic properties of confined molecules

Cited by 9 publications

References 51 publications

Thermal properties of three dimensional Morse potential for some diatomic molecules via Euler-Maclaurin approximation

Thermal properties of three dimensional Morse potential for some diatomic molecules via Euler-Maclaurin approximation

Analytical Solution of Non-Linear Oscillator and Thermal Properties of Interacting System of Real Polyatomic Molecules

Influence of the spatially inhomogeneous electric field on the thermodynamic property of the particle confined in a quantum well

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