A microscopic study of absorption and desorption of hydrogen in LaNi4.85Al0.15 using the grand canonical ensemble of statistical physics

Mechi, Nesrine; Sellaoui, Lotfi; Khemis, Ismahen Ben; Dhaou, H.; Knani, Salah; Jemni, Abdelmajid; Lamine, Abdelmottaleb Ben

doi:10.1016/j.fluid.2016.05.027

Cited by 11 publications

(6 citation statements)

References 79 publications

(70 reference statements)

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“…To experimentally study the H absorption-desorption isotherms of the LaNi 4.4 A l0.3 F e0.3 alloy, we used a numerical model based on statistical physics formalism. Based on the work studied by Chaker et al [23][24][25][26][27][28][29][30] in several articles, we use some approximations in order to simplify the calculations of the equations adapted to the model used. At low pressures that do not exceed 100 bar, we assumed that the hydrogen molecules were ideal gases, and under these conditions, the returned interaction among the gases absorbed or desorbed and the H-H molecules was very slight and could be neglected.…”

Section: Theoretical Modelingmentioning

confidence: 99%

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Experimental and Theoretical Studies of Hydrogen Storage in LaNi4.4Al0.3Fe0.3 Hydride Bed

et al. 2023

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In this article, the experimental measurements of the absorption/desorption P–C–T isotherms of hydrogen in the LaNi4.4Fe0.3Al0.3 alloy at different temperatures and constant hydrogen pressure have been studied using a numerical model. The mathematics equations of this model contain parameters, such as the two terms, nα and nβ, representing the numbers of hydrogen atoms per site; Nmα and Nmβ are the receptor sites’ densities, and the energetic parameters are Pα and Pβ. All these parameters are derived by numerically adjusting the experimental data. The profiles of these parameters during the absorption/desorption process are studied as a function of temperature. Thereafter, we examined the evolution of the internal energy versus temperature, which typically ranges between 138 and 181 kJmol−1 for the absorption process and between 140 and 179 kJmol−1 for the desorption process. The evolution of thermodynamic functions with pressure, for example, entropy, Gibbs free energy (G), and internal energy, are determined from the experimental data of the hydrogen absorption and desorption isotherms of the LaNi4.4Al0.3Fe0.3 alloy.

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Section: Theoretical Modelingmentioning

confidence: 99%

“…Various researchers have worked out to propose several theoretical models to investigate the hydrogen absorption of P-C-T isotherms and desorption by alloys. These models have been fine-tuned to accurately represent the progress of MH in view of the pressure of hydrogen [23][24][25][26][27][28][29][30][31][32].…”

Section: Introductionmentioning

confidence: 99%

Experimental and Theoretical Studies of Hydrogen Storage in LaNi4.4Al0.3Fe0.3 Hydride Bed

et al. 2023

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“…For the hydrogen-storage based purification unit, the absorption/desorption pressure and temperature are also taken as 7.5 × 10 5 /1.01 × 10 5 Pa and 293/303 K, respectively. According to the procedure introduced in section , the optimization results are obtained in 5.31 s (Windows 10, intel core i5–4210U CPU, 2.40 GHz) and are shown in Table .…”

Section: Case Studymentioning

confidence: 99%

“…With the absorption/desorption pressures and temperatures taken as 7.5 × 10 5 /1.01 × 10 5 Pa and 293/303 K, 40 and the PPP, PFP, and initial hydrogen recovery (R 0 ) taken as 0.9999, 0.70, and 1.0000 respectively, the purifier parameters are optimized in MATLAB according to the procedure proposed. The results are obtained in 1.73 s (Windows 10 system, intel core i5−4210U CPU, 2.40 GHz).…”

Section: Case Studymentioning

confidence: 99%

“…When purification is not applied, the minimum hydrogen utility consumption is 75.28 mol•s −1 , the tail gas flow rate is 95.89 mol•s −1 , and the pinch purity is 0.45. 8 For the hydrogen-storage based purification unit, the absorption/desorption pressure and temperature are also taken as 7.5 × 10 5 /1.01 × 10 5 Pa and 293/303 K, 40 respectively. According to the procedure introduced in section 3.5, the optimization results are obtained in 5.31 s (Windows 10, intel core i5−4210U CPU, 2.40 GHz) and are shown in Table 6.…”

Section: Case Studymentioning

confidence: 99%

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Integration of the Hydrogen-Storage Purification and Hydrogen Network

Zhou

Liu

2020

Ind. Eng. Chem. Res.

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The hydrogen-storage purification is studied with hydrogen-storage alloy, LaNi5, as the purification agent, and its design and optimization method is established based on the integration of hydrogen network. Relationships among the hydrogen-saving capacity of unit hydrogen-storage material, the required weight of hydrogen-storage material, hydrogen-storage time, and purification feed purity are deduced and used in the design and optimization. An optimization procedure is proposed to identify the optimal purification feed, the maximum hydrogen utility savings, the amount of required hydrogen-storage material, and the hydrogen absorption time. The hydrogen networks of two refineries are optimized by the proposed method. With the designed hydrogen-storage purification units, their hydrogen utility consumption can be reduced by 23.11% and 44.69%, respectively. In both cases, the optimal purification hydrogen feed purity, the optimal hydrogen recovery and the consumption of LaNi5 hydrogen-storage material are identified; the economic performance of the hydrogen-storage purification is compared with that of pressure swing adsorption.

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Monte Carlo method in two-dimensional materials

Basu

2020

Synthesis, Modeling, and Characterization of 2D Materials, and Their Heterostructures

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A microscopic study of absorption and desorption of hydrogen in LaNi4.85Al0.15 using the grand canonical ensemble of statistical physics

Cited by 11 publications

References 79 publications

Experimental and Theoretical Studies of Hydrogen Storage in LaNi4.4Al0.3Fe0.3 Hydride Bed

Experimental and Theoretical Studies of Hydrogen Storage in LaNi4.4Al0.3Fe0.3 Hydride Bed

Integration of the Hydrogen-Storage Purification and Hydrogen Network

Monte Carlo method in two-dimensional materials

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