Tuning the hydrogenation properties of Ti1+Cr2-Mn  laves phase compounds for high pressure metal-hydride compressors

Enoki, Hirotoshi; Asano, Keisuke; Kim, Hyosim; Sakaki, Kouji

doi:10.1016/j.ijhydene.2021.08.143

Cited by 33 publications

(37 citation statements)

References 43 publications

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“…The phase stability of the 220 selected compositions described in section 2.1 were evaluated by CALPHAD calculation. (TiVZr)1(CoFeMn)2 [27] and (e) Ti1(Cr0.75Mn0.25)2 [12]. Figure 5 shows, as example, the amount of equilibrium phase as function of temperature calculated by CALPHAD for the equiatomic (TiNb)1Fe2 and (TiNb)1(FeMnCr)2 compositions (alloys number 7 and 36, respectively, indicated by arrows in Figure 4).…”

Section: Prediction Of Phase Stabilitymentioning

confidence: 99%

“…CALPHAD calculation of the experimental composition of the (TiNb)1(FeMnCr)2 alloy confirmed that this composition should also crystallize as single C14 Laves phase (see Figure S1 of the supplementary material file). Five alloys reported in the literature that were experimentally demonstrated to be single C14 Laves phase alloys, namely TiZrCrMnFeNi [9], Ti20Zr20Nb5Fe40Ni15 [10], Ti0.5Zr0.5V0.5Ni1.1Mn0.2Fe0.2 [11], CoFeMnTiVZr [27], and TiCr1.5Mn0.5 [12], were added in Figure 4 and are represented as black diamonds.…”

Section: Prediction Of Phase Stabilitymentioning

confidence: 99%

“…(Ti13Zr20)1(Nb2.5Fe20Ni7.5Ti3.5)2 were reported in literature [9,10] and confirmed the prediction of single C14 phase structure (CALPHAD calculation of these two experimental compositions are also presented in Figure S2 of the supplementary material file). Figure 5 (c) shows the CALPHAD calculation for the (Ti)1(Cr0.75Mn0.25)2 alloy reported in [12], predicting crystallization as a major C14…”

Section: Prediction Of Phase Stabilitymentioning

confidence: 99%

“…Laves phase has been identified as the most common intermetallic phase among the intermetallic multicomponent alloy, and several times these alloys were constituted by a single Laves phase structure as reported by F. Stein and A. Leineweber [7]. Furthermore, Laves phases are known to reversibly absorb considerable amounts of hydrogen at moderate conditions of temperature and pressure, with good kinetics and sometimes without any activation treatment [8][9][10][11][12][13]. Laves phases are classified according to their crystal structures, namely, C14 (MgZn2-type), C15 (MgCu2-type), and C36 (MgNi2-type) [8].…”

Section: Introductionmentioning

confidence: 96%

“…Most of the Laves phase multicomponent alloys for hydrogen storage reported so far are equiatomic, although non-equiatomic compositions within the same alloy system have been studied since it could improve the hydrogen storage behavior as reported in [10][11][12].…”

Section: Introductionmentioning

confidence: 99%

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Design of Multicomponent Alloys with Single C14 Laves Phase for Hydrogen Storage assisted by Computational Thermodynamic

Ponsoni

Aranda

Nascimento

et al. 2021

Preprint

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Design methods with predictive properties modelling are paramount tools to explore the vast compositional field of multicomponent alloys. The applicability of an alloy as a hydrogen storage media is governed by its pressure-composition-temperature (PCT) diagram. Therefore, the prediction of PCT diagrams for multicomponent alloys is fundamental to design alloys with optimized properties for hydrogen storage applications. In this work, a strategy to design single C14-type Laves phase multicomponent alloys for hydrogen storage assisted by computational thermodynamic is presented. Since electronic and geometrical factors play an important role in the formation and stability of multicomponent Laves phase, valence electron concentration (VEC), atomic radius ratio (r_A/r_B), and atomic size mismatch (δ) are initially considered to screen a high number of compositions and find alloy systems prone to form Laves phase structure. Then, CALPHAD method was employed to find 142 alloys of the (Ti, Zr or Nb)(Cr, Mn, Fe, Co, Ni, Cu, or Zn)2 system predicted to crystallize as single C14 Laves phase structure. In addition, we present a thermodynamic model to calculate PCT diagrams of C14 Laves phase alloys based solely on the alloy’s composition. In this work, the entropy and enthalpy of hydrogen solution in the C14 Laves phase were modelled considering that hydrogen solid solution occurs only at the A2B2-type interstitial sites of the C14 Laves phase structure. Experimental pressure-composition-isotherm (PCI) diagrams of six C14 Laves phase alloys were compared against the calculated ones resulting in a good prediction capability. Therefore, the room temperature PCI diagrams of 142 single C14 Laves phase multicomponent alloys were calculated. The results show that single C14 Laves phase multicomponent alloys within a wide range of equilibrium pressure at room temperature can be obtained, being promising candidates for different hydrogen storage applications, such as room temperature tanks, hybrid tanks and Ni-metal hydrides batteries.

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Section: Prediction Of Phase Stabilitymentioning

confidence: 99%

Section: Prediction Of Phase Stabilitymentioning

confidence: 99%

Section: Prediction Of Phase Stabilitymentioning

confidence: 99%

Section: Introductionmentioning

confidence: 96%

Section: Introductionmentioning

confidence: 99%

See 3 more Smart Citations

Design of Multicomponent Alloys with Single C14 Laves Phase for Hydrogen Storage assisted by Computational Thermodynamic

Ponsoni

Aranda

Nascimento

et al. 2021

Preprint

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Thermally driven hydrogen compression using metal hydrides

Lototskyy

Linkov

2022

Intl J of Energy Research

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Summary Hydrogen compression is a major contributor to capital costs and maintenance hours in the infrastructure related to storage, distribution and end‐use of hydrogen. Conventionally used mechanical hydrogen compressors have a number of disadvantages including a complicated design, insufficient reliability, high operating costs, a probability of hydrogen leakage and hydrogen contamination. A promising alternative is a thermally driven metal hydride hydrogen compressor (MHHC) whose operation is based on the reversible interaction of hydride‐forming alloys with hydrogen gas. MHHCs have a number of advantages including practically unlimited (up to several kbars) discharge pressure, good scalability (from several normal litres to tens normal cubic metres of hydrogen per an hour), modular design, simplicity in service and operation, as well as high purity of the delivered hydrogen and a possibility to use low‐grade heat. MHHC does not contain moving parts that simplifies its design, increases reliability, and eliminates noise and vibration. This article overviews applied R&D activities related to the thermally driven hydrogen compression using metal hydrides. The focus is put on the interrelation between properties of metal hydride materials and their hydrogen compression performances, first of all, operating pressure ‐ temperature range, process productivity, and efficiency. Typical design features of the hydrogen compression systems and ways of their optimization are considered. A brief techno‐economic analysis of the MHHCs benchmarked against alternative hydrogen compression technologies (mechanical and electrochemical) is presented as well. Finally, promising application niches of the MHHCs are outlined.

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Mathematical modelling and design of the ionic liquid compressor for the hydrogen refuelling station

Guo

Wang

Liu³

et al. 2022

Intl J of Energy Research

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Summary The ionic liquid compressor is regarded as the most promising compression technology for the hydrogen refuelling station due to the combined application of ionic liquid and the hydraulic driving system. However, the design, mathematical and experimental investigations of the ionic compressor are still absent from the open literature. This paper proposed a new structure design and the design methodology of the ionic liquid compressor. The mathematical modelling considering the valve dynamics was provided for simulating the thermodynamic process, which was verified by the experimental data. The results showed that the delayed closing of the discharge valve would take place due to a high or low stiffness of the valve. The increase in the stiffness alleviated the rebound issue of the suction valve. An increase in the stroke to diameter ratio could solve the rebound issue of the discharge valve. A low or high trajectory coefficient would cause an intense rebound during the closing procedure of the discharge valve. The designed results of the main parameters of the compressor based on the simulation were the suction valve stiffness of 100 N/m, the discharge valve stiffness of 500 N/m, the stroke to diameter ratio of 1.0, and the trajectory coefficient of 0.125 under the given design condition.

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Tuning the hydrogenation properties of Ti1+Cr2-Mn laves phase compounds for high pressure metal-hydride compressors

Cited by 33 publications

References 43 publications

Design of Multicomponent Alloys with Single C14 Laves Phase for Hydrogen Storage assisted by Computational Thermodynamic

Design of Multicomponent Alloys with Single C14 Laves Phase for Hydrogen Storage assisted by Computational Thermodynamic

Thermally driven hydrogen compression using metal hydrides

Mathematical modelling and design of the ionic liquid compressor for the hydrogen refuelling station

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