332 citations
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physics.chem-ph2011★ 32 cited
Molecular dynamics simulations of D2O ice photodesorption
C. Arasa, S. Andersson, H. M. Cuppen +2
Molecular dynamics calculations have been performed to study the ultraviolet photodissociation of D2O in an amorphous D2O ice surface at 10-90 K, in order to investigate the influe…
physics.chem-ph2011
Assessment of existing H2/O2 chemical reaction mechanisms at reheat gas turbine conditions
Torleif Weydahl, Madhavan Poyyapakkam, Morten Seljeskog +1
This paper provides detailed comparisons of chemical reaction mechanisms of H2 applicable at high preheat temperatures and pressures relevant to gas turbine and particularly Alstom…
physics.chem-ph2010★ 78 cited
Molecular dynamics simulations of the ice temperature dependence of water ice photodesorption
C. Arasa, S. Andersson, H. M. Cuppen +2
The ultraviolet (UV) photodissociation of amorphous water ice at different ice temperatures is investigated using molecular dynamics (MD) simulations and analytical potentials. Pre…