Article
Thermodynamics
Ebert Alvares, Paul Jerabek, Yuanyuan Shang, Archa Santhosh, Claudio Pistidda, Tae Wook Heo, Bo Sundman, Martin Dornheim
Summary: This study evaluates the thermodynamics of hydrogenation reactions in FeTi-based alloys through experimental and computational methods, providing a foundation for the design of novel FeTi-based hydrides.
CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY
(2022)
Article
Chemistry, Physical
Binjing Zhang, Xiaoqiu Ye, Wenhua Luo, Ge Sang
Summary: This paper investigates the adsorption characteristics of oxygen on the ZrCo(110) surface and discusses the effect of oxygen occupying active sites on hydrogen adsorption behavior. The results show that the presence of oxygen at the active sites increases the dissociation barrier of H2 and significantly decreases the probability of hydrogen adsorption and dissociation. Additionally, oxygen also reduces the adsorption energy and stability of H atoms on the O-ZrCo(110) surface, as well as inhibits H atom diffusion on the surface and into the bulk.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2023)
Article
Energy & Fuels
Manoj S. Choudhari, Vinod Kumar Sharma
Summary: In this study, thermodynamic simulation and numerical modelling were used to investigate the performance of a hydrogen-based thermochemical energy storage system using LaNi4.6Al0.4-La0.9Ce0.1Ni5 metal hydride pair. The results showed good agreement between predicted and experimentally measured performance. The H-TCES system had an energy storage density of 243.67 kJ, a COP of 0.48, and a predicted overall cycle time of 2200 seconds.
INTERNATIONAL JOURNAL OF ENERGY RESEARCH
(2021)
Article
Chemistry, Physical
Y. E. Divo-Matos, R. C. Cruz-Rodriguez, L. Reguera, E. Reguera
Summary: This contribution presents a new model for gas adsorption isotherm at high pressures, derived from the Redlich-Kwong's equation of state, which considers the adsorption space as a fitting parameter unlike the frequently used Zhou model. The proposed model is validated through comparison with hydrogen adsorption isotherms in various porous solids, and the effects of model parameters on the isotherm shape are discussed in detail. This model has potential applications for evaluating adsorption data for gases above their critical temperature, particularly for hydrogen adsorption in porous solids.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2021)
Article
Energy & Fuels
D. Barton Smith, Robert C. Bowman, Lawrence M. Anovitz, Claudio Corgnale, Martin Sulic
Summary: Hydrogen absorption and desorption isotherms were measured for various metal hydride alloys to identify suitable candidates for the high-pressure stage of a two-stage hydrogen compressor. The alloy Ti0.8Zr0.2Fe1.6V0.4 was found to be the most viable option, producing the highest desorption pressures at moderate temperatures. Challenges in determining reliable isotherms at pressures greater than 50 MPa were also discussed.
JOURNAL OF PHYSICS-ENERGY
(2021)
Article
Chemistry, Physical
Jonina Felbinger, Inga Buerger, Marc Linder
Summary: In this study, a modified temperature-controlled sorption characterization technique is presented, which allows for measurements of sorption properties in vacuum. The method is validated and demonstrated through reference measurements of an AB5-type alloy. The results show good agreement with literature data, confirming the accuracy of the technique in measuring hydrogen sorption behavior.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2023)
Article
Chemistry, Physical
Huang Liu, Jingxi Zhang, Pei Sun, Chengshang Zhou, Yong Liu, Zhigang Zak Fang
Summary: In this study, the effect of oxygen addition on the phase composition and hydrogen storage properties of TiFe alloys was systematically investigated. The results showed that high oxygen content improved the initial hydrogen sorption of TiFe, but reduced the hydrogen capacity. Increasing oxygen content also slightly increased the hydrogenation equilibrium pressure, but had almost no impact on the thermodynamics of TiFe alloy.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2023)
Article
Chemistry, Physical
Volodymyr A. Yartys, Colin J. Webb, Fermin Cuevas
Summary: The paper provides an overview of advanced in situ diffraction studies for probing the structure and reacting mechanisms of hydrogen and energy storage materials. These studies utilize high flux diffraction beam and high resolution measurements to establish the mechanism of phase-structural transformations and their kinetics. Various conditions, such as hydrogen/deuterium pressures and temperatures, as well as different charge-discharge states, are considered. The paper also highlights the contributions of Dr. Michel Latroche and summarises a long-standing collaboration between the co-authors in the field.
JOURNAL OF ALLOYS AND COMPOUNDS
(2023)
Article
Energy & Fuels
Sanjay Gupta, Vinod Kumar Sharma
Summary: This study characterizes the La0.9Ce0.1Ni5 alloy for use in a single-stage thermally driven sorption hydrogen compressor (TDSHC) and investigates the effects of operating temperature on hydrogen storage capacity and thermodynamic properties. Results show that an increase in operating temperature leads to a decrease in hydrogen storage capacity, an increase in reaction enthalpy, and a significant increase in equilibrium pressure. The TDSHC proposed in this study operates at temperatures and pressures to deliver compressed hydrogen efficiently.
INTERNATIONAL JOURNAL OF ENERGY RESEARCH
(2021)
Review
Chemistry, Physical
Changhyo Sun, Chenxi Wang, Taejun Ha, Joonho Lee, Jae-Hyeok Shim, Yunseok Kim
Summary: Increasing demand for renewable and clean energy due to environmental pollution and energy consumption has led to increased attention towards hydrogen storage materials. These materials have high safety and large volumetric density for hydrogen storage, making them suitable for large-capacity and long-term energy storage capability. Various characterization techniques have been used to understand the mechanisms of hydrogen absorption and desorption, with a recent focus on local characterization techniques to study surface and nanostructural interface effects. This article reviews the application of these characterization techniques in exploring hydrogen storage materials.
Review
Chemistry, Physical
N. A. Ali, N. A. Sazelee, M. Ismail
Summary: Metal hydrides and complex hydrides are the most convenient method for hydrogen storage, offering high hydrogen capacity, but facing challenges of high operating temperature and low reversibility.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2021)
Review
Chemistry, Physical
Leandro Serrano, Maria Moussa, Jie-Yi Yao, Gilbert Silva, Jean -Louis Bobet, Sydney Ferreira Santos, Katia Regina Cardoso
Summary: The development of novel high entropy alloys (HEA) of the TiVNbCrMn system for hydrogen storage is reported. The CALPHAD method was used to design alloys with a body centered cubic structures. Hydrogen absorption/desorption cycles were performed for two alloys showing promising results since the maximum capacity of the alloys has been maintained despite a reduction in absorption kinetics.
JOURNAL OF ALLOYS AND COMPOUNDS
(2023)
Article
Chemistry, Physical
Huang Liu, Jingxi Zhang, Chengshang Zhou, Pei Sun, Yong Liu, Zhigang Zak Fang
Summary: This paper investigates the effect of Nb alloying on the microstructure and hydrogen storage properties of Ti-Fe-Zr-Mn-Nbx alloys. The addition of 2% Nb enables a good combination of the hydrogen capacity and activation property, while Zr-rich phases play a critical role in the activation behavior. However, high Nb addition (> 4%) leads to the reduction of Zr-rich phases and deteriorates the activation kinetics. Nb addition also promotes the formation of the TiFe main phase and increases capacities at ambient temperature. The correlations between microstructure and hydrogen storage performance provide insights into tailoring hydrogen storage properties by alloying TiFe with multi-elements.
JOURNAL OF ALLOYS AND COMPOUNDS
(2023)
Article
Chemistry, Physical
Mahvash Afzal, Nandlal Gupta, Aashish Mallik, K. S. Vishnulal, Pratibha Sharma
Summary: This study continues the computational analysis of a reactor with hexagonal honeycomb-based heat transfer enhancements, investigating the performance of a metal alloy and the reactor experimentally. It determines the gravimetric capacity and reaction kinetics of the alloy La0.9Ce0.1Ni5, while also exploring the impact of operating conditions on reactor performance. Additionally, evaporative cooling is tested for the first time as a heat removal technique for metal hydride based hydrogen storage reactors and found to significantly improve heat transfer.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2021)
Article
Chemistry, Physical
Suwarno Suwarno, Ghazy Dicky, Abdillah Suyuthi, Mohammad Effendi, Witantyo Witantyo, Lukman Noerochim, Mohammad Ismail
Summary: This study used machine learning approaches to analyze the dataset of AB(2) metal hydrides and discovered the effects of alloying elements on their hydrogen storage properties. The findings are expected to guide further experimental work to optimize the phase structure and hydrogen sorption properties of AB(2) alloys.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2022)