Molecular dynamics simulations of D2O ice photodesorption
نویسندگان
چکیده
منابع مشابه
Molecular dynamics simulations of D2O ice photodesorption.
Molecular dynamics (MD) calculations have been performed to study the ultraviolet (UV) photodissociation of D(2)O in an amorphous D(2)O ice surface at 10, 20, 60, and 90 K, in order to investigate the influence of isotope effects on the photodesorption processes. As for H(2)O, the main processes after UV photodissociation are trapping and desorption of either fragments or D(2)O molecules. Trapp...
متن کاملPhotodesorption of water ice A molecular dynamics study
Context. Absorption of ultraviolet radiation by water ice coating interstellar grains can lead to dissociation and desorption of the ice molecules. These processes are thought to be important in the gas-grain chemistry in molecular clouds and protoplanetary disks, but very few quantitative studies exist. Aims. We compute the photodesorption efficiencies of amorphous water ice and elucidate the ...
متن کاملPhotodesorption of Ices Ii: H2o and D2o
Gaseous H2O has been detected in several cold astrophysical environments, where the observed abundances cannot be explained by thermal desorption of H2O ice or by H2O gas phase formation. These observations hence suggest an efficient non-thermal ice desorption mechanism. Here, we present experimentally determined UV photodesorption yields of H2O and D2O ice and deduce their photodesorption mech...
متن کاملIce formation on kaolinite: Insights from molecular dynamics simulations.
The formation of ice affects many aspects of our everyday life as well as important technologies such as cryotherapy and cryopreservation. Foreign substances almost always aid water freezing through heterogeneous ice nucleation, but the molecular details of this process remain largely unknown. In fact, insight into the microscopic mechanism of ice formation on different substrates is difficult ...
متن کاملNonequilibrium molecular dynamics simulations of vibrational energy relaxation of HOD in D2O.
Vibrational energy relaxation of HOD in deuterated water is investigated performing classical nonequilibrium molecular dynamics simulations. A flexible SPC/E model is employed to describe the intermolecular interactions and the intramolecular potential of the D(2)O solvent. A more accurate intramolecular potential is used for HOD. Our results for the OH stretch, OD stretch, and HOD bend vibrati...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: The Journal of Chemical Physics
سال: 2011
ISSN: 0021-9606,1089-7690
DOI: 10.1063/1.3582910