Analyzing he kine ic beha io o hyd ides applying he Ma ko Chain
Mon e Ca lo (MCMC) me hod
Au ho s
J. Puszkiel1, 2,*, V. R. Hosseini3, A. Ne es1, 2, T. Ca a o3, T. Klassen1, 2, J. Jepsen1, 2
A ilia ions
1Ma e ials Technology, Helmu -Schmid Uni e si y (HSU), Uni e si y o he Fede al A med Fo ces, Hols enho weg
85, 22043, Hambu g, Ge many
2Ins i u e o Hyd ogen Technology, Helmhol z-Zen um He eon GmbH (he eon), Max-Planck-S . 1, 21502,
Gees hach , Ge many
3Applied Ma hema ics, Helmu -Schmid Uni e si y (HSU), Uni e si y o he Fede al A med Fo ces, Hols enho weg
85, 22043, Hambu g, Ge many
* Lead p esen e
Abs ac
Hyd ogen is conside ed he mos p omising ene gy ec o o an ene gy ma ix based on enewable
ene gy sou ces. The e a e se e al bo lenecks o he b oad u iliza ion o hyd ogen; among hem, i s
s o age poses a challenge. Hyd ogen s o age in solid ma e ials can p o ide a mo e compac , e icien , and
sa e al e na i e han he con en ional physical s o age me hods in gaseous o liquid s a e [1].
These hyd ogen s o age sys ems comp ise a essel con aining a hyd ide- o ming ma e ial whose
hyd ogena ion and dehyd ogena ion kine ic beha io s equi e app op ia e cha ac e iza ion and modeling
o gain a deepe unde s anding o he eac ion mechanism [2]. This wo k explo es a no el applica ion o
he Ma ko Chain Mon e Ca lo (MCMC) me hod o de e mine he a e-limi ing s ep (RLS) o an AB2
hyd ide- o ming alloy (Ti0.9Z 0.1)1.25C 0.85Mn1.1Mo0.05 o which 10 w .% o expanded na u al g aphi e (ENG)
was added [3]. Resul s ob ained om measu emen s in Sie e s appa a us in b oad anges o empe a u e
and hyd ogen p essu es ( om -25 ºC o abou 40 ºC and om 1 ba o abou 160 ba ) ha e been analyzed
h ough his me hod o e alua e he JMAK equa ion (Johnson-Mehl-A ami-Kolmogo ow) [4]. To
de e mine hei mos p obable alues, he MCMC app oach ocuses on he s a is ical dis ibu ion o he
exponen ial ac o n, desc ibing he RLS, and he kine ic a e cons an k o each kine ic cu e. Conside ing
he ob ained n, he RLS mechanisms o he hyd ogena ion and dehyd ogena ion p ocesses show a clea
dependence on he T and P condi ions.
On he one hand, o he hyd ogena ion p ocess, he RLS changes om a mixed mechanism (in e phase
mo emen and di usion con ol, n= 0.7-0.8) o a pu e in e phase mo emen con ol mechanism as he
empe a u e and p essu e inc ease (n= 1.0-1.24). On he o he hand, o he dehyd ogena ion p ocess,
he RLS is mainly he in e phase mo emen a low empe a u es and p essu es (n= 1.0-1.25) and changes
o a mixed mechanism as he empe a u e and p essu e inc ease (n= 0.8-0.9). Howe e , he in e phase
mo emen domina es he mixed mechanism in he T and P ange. This analysis p o ides no el insigh s
in o he de e mina ion o he RLS, some hing impossible o each wi h he applica ion o he adi ional
gas-solid model de e mina ion me hods (linea iza ion o he gas-solid equa ions and educed ime
me hod [4]).
Re e ences
[1] J. Bellos a on Colbe, e al., Applica ion o Hyd ides in Hyd ogen S o age and Comp ession:
Achie emen s, Ou look and Pe spec i es, In e na ional Jou nal o Hyd ogen Ene gy 44 (2019) 7780.
[2] L. Pasquini, e al., Magnesium- and in e me allic alloys-based hyd ides o ene gy s o age: modelling,
syn hesis and p ope ies, P og ess in Ene gy 4 (2022) 032007.
[3] J. Puszkiel, e al., Designing an AB2-Type Alloy (TiZ -C MnMo) o he Hyb id Hyd ogen S o age
Concep . Ene gies 13 (2020) 2751
[4] J. A. Puszkiel, Tailo ing he Kine ic Beha io o Hyd ide Fo ming Ma e ials o Hyd ogen S o age, ed.
In echOpen, London, 2018, ISBN: 978-1-78984-957-8.
