A novel formulation representation of the equilibrium constant for water gas shift reaction

Wang, Chao‐Wen; Peng, Xiaolong; Jiang, Rui; Li, Xiaoping; Liu, Yu-Song; Liu, Shuyan; Wei, Lin-Sheng; Zhang, Liehui; Jia, Chun‐Sheng

doi:10.1016/j.ijhydene.2022.06.105

Cited by 32 publications

(5 citation statements)

References 53 publications

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“…Up to now, many exponential-type potentials, including the Morse [30,31], Hulthén [32][33][34][35][36][37][38], Woods-Saxon [27,[39][40][41][42][43], Rosen-Morse [44][45][46][47][48], Eckart-type [49][50][51], Manning-Rosen [52][53][54], Deng-Fan [55,56], Pöschl-Teller like [57], Mathieu [58], sine-type hyperbolic [59] and Schiöberg [60][61][62][63] potentials have been investigated, and some analytical bound state solutions were obtained using an approximation for these models in l ≠ 0 state. Some known exponential potentials can also be transformed into a hyperbolic potential model, which can help understand quantum systems' natural dynamics [64][65][66][67][68][69][70][71][72][73][74][75]<...…”

Section: Introductionmentioning

confidence: 99%

Generalised tanh-shaped hyperbolic potential: Klein–Gordon equation's bound state solution

Badalov

2023

Commun. Theor. Phys.

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The development of potential theory heightens the understanding of fundamental interactions in quantum systems. In this paper, the bound state solution of the modified radial Klein-Gordon equation is presented for generalised tanh-shaped hyperbolic potential from the Nikiforov-Uvarov method. The resulting energy eigenvalues and corresponding radial wave functions are expressed in terms of the Jacobi polynomials for arbitrary $l$ states. It is also demonstrated that energy eigenvalues strongly correlate with potential parameters for quantum states. Considering particular cases, the generalised tanh-shaped hyperbolic potential and its derived energy eigenvalues exhibit good agreement with the reported findings. Furthermore, the rovibrational energies are calculated for three representative diatomic molecules, namely $\rm{H_{2}}$, $\rm{HCl}$ and $\rm{O_{2}}$. The lowest excitation energies are in perfect agreement with experimental results. Overall, the potential model is displayed to be a viable candidate for concurrently prescribing numerous quantum systems.

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Section: Introductionmentioning

confidence: 99%

Generalised tanh-shaped hyperbolic potential: Klein–Gordon equation's bound state solution

Badalov

2023

Commun. Theor. Phys.

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“…In a very recent advancement, the Gibbs free energy equation developed from the well-known Fu-Wang-Jia (FWJ) oscillator has been used to establish the equilibrium constant for the water gas shift reaction [33].…”

Section: Introductionmentioning

confidence: 99%

Bound-state energy spectrum and thermochemical functions of the deformed Schiöberg oscillator

Ahmed,

Eyube,

Omugbe

et al. 2023

Preprint

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In this study, a diatomic molecule interacting potential such as the deformed Schiöberg oscillator (DSO) have been applied to diatomic systems. By solving the Schrödinger equation in the with the DSO, analytical equations for the energy eigenvalues, molar entropy, molar enthalpy, molar Gibbs free energy and constant pressure molar heat capacity were obtained. The obtained equations were used to analyze the physical properties of diatomic molecules. With the aid of the DSO, the percentage average absolute deviation (PAAD) of computed data from the experimental data of the 7Li2 (2 3Πg), NaBr (X 1Σ+), KBr (X 1Σ+) and KRb (B 1Π) molecules are 1.3319%, 0.2108%, 0.2359% and 0.8841%, respectively. The PAAD values obtained by employing the equations of molar entropy, scaled molar enthalpy, scaled molar Gibbs free energy and isobaric molar heat capacity are 1.2919%, 1.5639%, 1.5957% and 2.4041%, respectively, from the experimental data of the KBr (X 1Σ+) molecule. The results of the energy spectra and thermodynamic properties are in good agreement with literature and available experimental data on diatomic molecules.

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“…Analytical expressions for the prediction of molar entropy and Gibbs free energy of substances have been developed for the FWJ oscillator, the obtained equations were used to predict thermodynamic properties of SO 2 , and S 2 molecules [48, 49]. In a recent advancement, Wang and co‐workers have used the FWJ potential to model the internal vibration of diatomic molecules, and have successfully predicted the equilibrium constant for water gas shift reaction [50].…”

Section: Introductionmentioning

confidence: 99%

Isobaric molar heat capacity model for the improved Tietz potential

Eyube

Notani

Dlama

et al. 2022

Int J of Quantum Chemistry

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In this study, the improved Tietz potential was used to describe the internal vibration of diatomic molecules. By employing the expression for upper bound vibrational quantum number and canonical partition function of the system, equation for the prediction of constant pressure (isobaric) molar heat capacity of diatomic molecules was derived. The analytical model was used to predict the isobaric molar heat capacity of the ground state CO, BBr, HBr, HI, P2, KBr, Br2, PBr, SiO, and Cl2 molecules. The upper bound vibrational quantum number obtained for the molecules are 85, 100, 21, 21, 115, 301, 89, 157, 110, and 67. The calculated average absolute deviations are 2.3462%, 1.1342%, 2.3350%, 1.9078%, 0.7268%, 2.4041%, 1.7849%, 1.8989%, 2.5209%, and 2.1523% from experimental data. The results obtained are in good agreement with available literature data on gaseous molecules.

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A novel formulation representation of the equilibrium constant for water gas shift reaction

Cited by 32 publications

References 53 publications

Generalised tanh-shaped hyperbolic potential: Klein–Gordon equation's bound state solution

Generalised tanh-shaped hyperbolic potential: Klein–Gordon equation's bound state solution

Bound-state energy spectrum and thermochemical functions of the deformed Schiöberg oscillator

Isobaric molar heat capacity model for the improved Tietz potential

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