A review on kinetic models and corresponding analysis methods for hydrogen storage materials

Pang, Yuepeng; Li, Qian

doi:10.1016/j.ijhydene.2016.08.018

Cited by 304 publications

(87 citation statements)

References 125 publications

Supporting

Mentioning

Contrasting

Unclassified

Order By: Relevance

“…Thus it can be concluded that in general the Kissinger peak method will cause deviations at low y. Whilst it may be a convenient method that is often applied † , it is not the most accurate method. † In their recent review of analysis methods for hydrogen storage materials (HSM) Pang and Li [4] state that 'almost all the kinetic investigations on the hydrogen storage properties use Kissinger method to calculate the apparent activation energy'. Whilst in a broad sense this is correct, actually both the Kissinger peak method and the Kissinger-Akahira-Sunose method, as well as other methods have been used.…”

Section: Peak Methods: the Original Kissinger Method The 'Choo And Lmentioning

confidence: 99%

“…A regularly employed method for analyses of hydrogen desorption kinetics is linear heating hydrogen desorption measurements. Through performing experiments at several heating rates, , the (effective) activation energy of the process can be determined from the shift of a characteristic temperature, T f , of the hydrogen evolution effect with changing heating rate [4,5]. (Often T f is taken as the temperature of a (local) maximum in H evolution rate, i.e.…”

Section: Introductionmentioning

confidence: 99%

See 1 more Smart Citation

Analysis of hydrogen desorption from linear heating experiments: Accuracy of activation energy determinations

Starink

2018

International Journal of Hydrogen Energy

View full text Add to dashboard Cite

Through performing hydrogen desorption experiments at different heating rates, , the (effective) activation energy, E, of the desorption process can be determined from the shift of a characteristic temperature, T f , of the hydrogen evolution effect with heating rate. In the literature various methods have been employed, and in the present work the accuracy of these methods is investigated. The Kissinger-Akahira-Sunose, Flynn-Wall-Ozawa, Starink, Kissinger and Choo-Lee methods all employ approximations which cause deviations in the activation energy determination, which increase drastically as E/RT (R is the gas constant) becomes smaller. It is shown that for various hydrogen desorption reactions reported in the literature, deviations in reported E between ~1 to ~20% can occur due to inappropriate use of methods. It is shown that the Ozawa and Flynn-Wall-Ozawa methods are highly inaccurate and particularly for hydrogen evolution, where E/RT is often smaller than 15, they are in most cases inappropriate. The Kissinger peak method is accurate for first order reactions, but as hydrogen evolution reactions generally are not first order reactions, application of this method will result in inaccuracies which increase for decreasing E/RT. In general the magnitude of the deviations of such a peak method are not predictable, as this depends on the reaction mechanism. In many cases the Kissinger peak method is inappropriate for high accuracy determination of activation energy for hydrogen evolution reactions. Amongst the methods that provide an activation energy directly from a slope (i.e. without iterative procedures) the Starink method provides the best accuracy of activation energy analysis methods studied in the literature. It provides an accuracy that is better than 2% for E/RT >6, which covers all known hydrogen desorption reactions, whilst correction for residual errors are possible.

show abstract

Section: Peak Methods: the Original Kissinger Method The 'Choo And Lmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Analysis of hydrogen desorption from linear heating experiments: Accuracy of activation energy determinations

Starink

2018

International Journal of Hydrogen Energy

View full text Add to dashboard Cite

show abstract

“…Вопросы численного моделирования подобных физико-химических процессов и решения задач обработки экспериментальных результатов проработаны, на наш взгляд, недостаточно. В работе [Pang, Li, 2016] дан обзор подходов к моделированию, но, к сожалению, неполный: отсутствует весьма подробная модель Г. Мейера -Ф. Кастро [Castro, Meyer, 2002], работы израильской группы (J. Bloch, M. Mintz и др.) [Bloch, 2000;Bloch, 2003;Bloch, Mintz, 1997;Mintz, Zeiri, 1994].…”

Section: обратные задачиunclassified

High-throughput identification of hydride phase-change kinetics models

Chernov¹

2020

CRM

View full text Add to dashboard Cite

Metal hydrides are an interesting class of chemical compounds that can reversibly bind a large amount of hydrogen and are, therefore, of interest for energy applications. Understanding the factors affecting the kinetics of hydride formation and decomposition is especially important. Features of the material, experimental setup and conditions affect the mathematical description of the processes, which can undergo significant changes during the processing of experimental data. The article proposes a general approach to numerical modeling of the formation and decomposition of metal hydrides and solving inverse problems of estimating material parameters from measurement data. The models are divided into two classes: diffusive ones, that take into account the gradient of hydrogen concentration in the metal lattice, and models with fast diffusion. The former are more complex and take the form of non-classical boundary value problems of parabolic type. A rather general approach to the grid solution of such problems is described. The second ones are solved relatively simply, but can change greatly when model assumptions change. Our experience in processing experimental data shows that a flexible software tool is needed; a tool that allows, on the one hand, building models from standard blocks, freely changing them if necessary, and, on the other hand, avoiding the implementation of routine algorithms. It also should be adapted for high-performance systems of different paradigms. These conditions are satisfied by the HIMICOS library presented in the paper, which has been tested on a large number of experimental data. It allows simulating the kinetics of formation and decomposition of metal hydrides, as well as related tasks, at three levels of abstraction. At the low level, the user defines the interface procedures, such as calculating the time layer based on the previous layer or the entire history, calculating the observed value and the independent variable from the task variables, comparing the curve with the reference. Special algorithms can be used for solving quite general parabolic-type boundary value problems with free boundaries and with various quasilinear (i.e., linear with respect to the derivative only) boundary conditions, as well as calculating the distance between the curves in different metric spaces and with different normalization. This is the middle level of abstraction. At the high level, it is enough to choose a ready tested model for a particular material and modify it in relation to the experimental conditions.

show abstract

“…The Arrhenius approach of equation 4 is first choice for a simple basic kinetic law; however, a more complex model may be used instead. 21 The limiting effect of thermodynamics is taken into account by factoring out a logarithmic pre-exponential term ln (2 -p/p eq ) from the kinetic constant k, the term is selected for being the simplest one comprising of a static and a variable part while meeting the other formal requirements.…”

Section: Start In the Kinetic Dimensionmentioning

confidence: 99%

See the Forest, Ignore the Trees: A Minimalist Approach to Metal Hydride Tank Modelling Maximizing General Practical Usability

Pawelke

2019

Preprint

View full text Add to dashboard Cite

A simple and practical method for describing transient metal hydride tank behaviour in fuel cell energy systems is outlined, requiring only a minimum of fundamental thermodynamic and kinetic input data. The solution is developed top-down by means of the generic pressure-time course of hydrogen release from a metal hydride tank that is coupled to a fuel cell.This approach towards a comprehensive model allows for the untangling of engineering and chemistry issues and offers an alternative to the transient simulation of metal hydride bed temperature distribution. While a practitioner of the art may benefit from that result in its own right, the essence of this work rests with the paradigm of understanding the problem.

show abstract

A review on kinetic models and corresponding analysis methods for hydrogen storage materials

Cited by 304 publications

References 125 publications

Analysis of hydrogen desorption from linear heating experiments: Accuracy of activation energy determinations

Analysis of hydrogen desorption from linear heating experiments: Accuracy of activation energy determinations

High-throughput identification of hydride phase-change kinetics models

See the Forest, Ignore the Trees: A Minimalist Approach to Metal Hydride Tank Modelling Maximizing General Practical Usability

Contact Info

Product

Resources

About