Predictions of thermodynamic properties for hydrogen sulfide

Jia, Chun‐Sheng; Ji, Li; Liu, Yu-Song; Peng, Xiaolong; Xu, Jia; Zhang, Liehui; Jiang, Rui; Li, Xiaoping; Liu, Jianyi; Zhao, Yulong

doi:10.1016/j.molliq.2020.113751

Cited by 61 publications

(5 citation statements)

References 77 publications

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“…In recent developments, the internal vibration of diatomic and triatomic molecules has been represented by improved Tietz potential and the shifted Tietz Wei potential. These models have successfully been used to predict the thermodynamic properties of pure substances including CsO, CsF, CsCl, NO, H 2 O, H 2 S and CO molecules [19][20][21][22][23][24][25].…”

Section: Introductionmentioning

confidence: 99%

Improved q-deformed Scarf II oscillator

Eyube¹,

Nyam²,

Notani³

2021

Phys. Scr.

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In this work, the improved q-deformed Scarf II oscillator (IQSO) is formulated through the Varshni conditions for diatomic molecule potential. Equation for bound state energy eigenvalues of the IQSO is obtained by the SUSYQM method, a Pekeris-like approximation scheme is used to model the centrifugal term of the Schrödinger equation. Expressions for molar entropy and Gibbs free energy are deduced for the IQSO from equations of energy eigenvalues and partition function within the context of Poisson summation formula. The IQSO is used to model experimental Rydberg-Klein-Rees (RKR) data of six diatomic molecules including: KRb (B 1Π), CO+ (X 2Σ+), Cl2 (X 1Σg +), ICl (X 1Σg +), NbO (X 1Σ+), and K2 (X 1Σg +). The average absolute deviation and mean absolute percentage deviation are used as accuracy indicators. Computed data revealed that the IQSO is an excellent model in fitting the RKR data of the diatomic molecules examined in this work. Numerical values of molar entropy and Gibbs free energy calculated for ICl (X 1Σg +) molecule are almost indistinguishable from existing experimental data for gaseous ICl (X 1Σg +) molecules. This suggests that the IQSO is a near perfect model for representing the internal vibrations of the ICl (X 1Σg +) molecule.

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Section: Introductionmentioning

confidence: 99%

Improved q-deformed Scarf II oscillator

Eyube¹,

Nyam²,

Notani³

2021

Phys. Scr.

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“…Besides, it can be seen from the equation (39) that the second order virial coefficient is function to an exponential function with the width of the Morse potential and the bond distance of Morse oscillator, while this coefficient is a square function to the depth of the Morse potential. Further applications of the equation of the total pressure derived from this work can be applied to significant molecules and dimers, for instance: the dimer of phosphorus ( Jia et al, 2018 ; Peng et al, 2018 ), the nitrogen gaseous, hydrogen chloride, carbon monoxide, hydrogen sulphide, and Bohr fluoride ( Jia et al, 2019 ; Jiang et al, 2019 ; Wang et al, 2019 , and Jia et al, 2020 ), and for water ( Wang et al, 2021 ), where we can use the fittings parameters resulted from the previous studies for simulating our equation of state of Morse oscillator for further numerical results.…”

Section: Resultsmentioning

confidence: 99%

Morse oscillator equation of state: An integral equation theory based with virial expansion and compressibility terms

Al‐Raeei

2022

Heliyon

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“…To further validate our findings, we map our result to 3D and a comparison of our results with what obtains in literature reveals an excellent agreement. The present calculation scheme can be further used to study the thermal and magnetic properties of triatomic substance [88][89][90]. More so, thermal properties of NO , 2 N , etc.…”

Section: Discussionmentioning

confidence: 97%

Effects of Topological Defect on the Energy Spectra and Thermo-magnetic Properties of $$CO$$ Diatomic Molecule

Edet

Ikot

2021

J Low Temp Phys

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Confinement effects of Aharonov-Bohm (AB) flux and magnetic fields with topological defect on CO diatomic molecule modeled by screened modified Kratzer potential is investigated in this paper. The all-encompassing effects of the fields and topological defect result in a strongly repulsive system. We discover that the collective effect of the fields and defect is intense than the lone and dual effect and consequently there is a substantial shift in the bound state energy of the system. We also find that to sustain a low-energy medium for the molecule modeled by SMKP, the topological defect and weak AB field are required, whereas the Magnetic field can be used as a control parameter or enhancer. The effects of the topological defect and magnetic and AB fields on the thermal and magnetic properties of the system are duly analyzed. We observe that the system tends to exhibit both a paramagnetic and diamagnetic behavior for weak and intense magnetic field respectively and some sort of saturation at large magnetic field. To further validate our findings, we map our result to 3D and a comparison of our results with what obtains in literature reveals an excellent agreement.

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Predictions of thermodynamic properties for hydrogen sulfide

Cited by 61 publications

References 77 publications

Improved q-deformed Scarf II oscillator

Improved q-deformed Scarf II oscillator

Morse oscillator equation of state: An integral equation theory based with virial expansion and compressibility terms

Effects of Topological Defect on the Energy Spectra and Thermo-magnetic Properties of $$CO$$ Diatomic Molecule

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