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@ARTICLE{Ledovskikh:282912,
      author       = {Ledovskikh, A. V. and Danilov, D. L. and Vliex, M. and
                      Notten, P. H. L.},
      title        = {{M}odeling and experimental verification of the
                      thermodynamic properties of hydrogen storage materials},
      journal      = {International journal of hydrogen energy},
      volume       = {41},
      number       = {6},
      issn         = {0360-3199},
      address      = {New York, NY [u.a.]},
      publisher    = {Elsevier},
      reportid     = {FZJ-2016-01651},
      pages        = {3904 - 3918},
      year         = {2016},
      abstract     = {A new mathematical model has been developed describing the
                      thermodynamics of the hydrogen absorption and desorption
                      process in Metal Hydrides via the gas phase. This model is
                      based on first principles chemical and statistical
                      thermodynamics and takes into account structural changes
                      occurring inside hydrogen storage materials. A general state
                      equation has been derived considering the chemical
                      potentials of reacting species and volume expansion, from
                      which the equilibrium hydrogen pressure dependence on the
                      absorbed hydrogen content can be calculated. The model is
                      able to predict the classical Van ’t Hoff equation from
                      first-principle analytical expressions and gives more
                      insight into the various hydrogen storage characteristics.
                      Pressure-Composition Isotherms have been simulated for
                      various hydride-forming materials. Excellent agreement
                      between simulation results and experimental data has been
                      found in all cases.},
      cin          = {IEK-9},
      ddc          = {660},
      cid          = {I:(DE-Juel1)IEK-9-20110218},
      pnm          = {131 - Electrochemical Storage (POF3-131)},
      pid          = {G:(DE-HGF)POF3-131},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000371654800018},
      doi          = {10.1016/j.ijhydene.2015.11.038},
      url          = {https://juser.fz-juelich.de/record/282912},
}