scholarly journals Cover Feature: On the Formation of the Popcorn Flavorant 2,3‐Butanedione (CH 3 COCOCH 3 ) in Acetaldehyde‐Containing Interstellar Ices (ChemPhysChem 14/2020)

ChemPhysChem ◽  
2020 ◽  
Vol 21 (14) ◽  
pp. 1484-1484
Author(s):  
N. Fabian Kleimeier ◽  
Andrew M. Turner ◽  
Ryan C. Fortenberry ◽  
Ralf I. Kaiser
Keyword(s):  
Interstellar Ices

Novel Routes for Diamond Formation in Interstellar Ices and Meteoritic Parent Bodies

2005 ◽  
Vol 626 (2) ◽  
pp. L129-L132 ◽  
Author(s):  
A. Kouchi ◽  
H. Nakano ◽  
Y. Kimura ◽  
C. Kaito
Keyword(s):  
Diamond Formation ◽  
Interstellar Ices

ION IRRADIATION OF H2-LADEN POROUS WATER-ICE FILMS: IMPLICATIONS FOR INTERSTELLAR ICES

2015 ◽  
Vol 811 (2) ◽  
pp. 120 ◽  
Author(s):  
U. Raut ◽  
E. H. Mitchell ◽  
R. A. Baragiola
Keyword(s):  
Ion Irradiation ◽  
Water Ice ◽  
Ice Films ◽  
Interstellar Ices

scholarly journals Desorption of Hot Molecules from Photon Irradiated Interstellar Ices

2008 ◽  
Vol 673 (2) ◽  
pp. 1233-1239 ◽  
Author(s):  
J. D. Thrower ◽  
D. J. Burke ◽  
M. P. Collings ◽  
A. Dawes ◽  
P. D. Holtom ◽  
...  
Keyword(s):  
Interstellar Ices

Cometary Materials Originating from Interstellar Ices: Clues from Laboratory Experiments

2017 ◽  
Vol 837 (2) ◽  
pp. 168 ◽  
Author(s):  
A. Fresneau ◽  
N. Abou Mrad ◽  
L. LS d’Hendecourt ◽  
F. Duvernay ◽  
L. Flandinet ◽  
...  
Keyword(s):  
Laboratory Experiments ◽  
Interstellar Ices

scholarly journals Desorption rates and sticking coefficients for CO and N2 interstellar ices

2006 ◽  
Vol 449 (3) ◽  
pp. 1297-1309 ◽  
Author(s):  
S. E. Bisschop ◽  
H. J. Fraser ◽  
K. I. Öberg ◽  
E. F. van Dishoeck ◽  
S. Schlemmer
Keyword(s):  
Interstellar Ices ◽  
Sticking Coefficients

Diffusion of atomic oxygen relevant to water formation in amorphous interstellar ices

2014 ◽  
Vol 168 ◽  
pp. 205-222 ◽  
Author(s):  
Myung Won Lee ◽  
Markus Meuwly
Keyword(s):  
Electrostatic Interactions ◽  
Atomic Oxygen ◽  
Md Simulations ◽  
Umbrella Sampling ◽  
Chemical Mechanism ◽  
Amorphous Ice ◽  
Migration Barriers ◽  
Water Formation ◽  
Interstellar Ices ◽  
Migration Pathways

Molecular dynamics (MD) simulations together with accurate physics-based force fields are employed to determine the mobility of atomic oxygen in amorphous ice at low temperatures, characteristic for conditions in interstellar ices. From the simulations it is found that the mobility of atomic oxygen ranges from 60 to 480 Å2 ns−1 in amorphous ice at temperatures between 50 and 200 K. Hence, the simulations establish that atomic oxygen is mobile to a certain degree and a chemical mechanism for water formation involving oxygen mobility is a realistic scenario. This is also confirmed by the computed migration barriers for oxygen diffusion by multiple umbrella sampling simulations, which yield barriers for diffusion in the range of 0.7–1.9 kcal mol−1. The physics-based force field – based on a multipolar expansion of the electrostatic interactions – yields more pronounced energetics for oxygen migration pathways compared to the conventional point-charge models employed in typical simulations. Once formed, the computed solvation free energy suggests that atomic oxygen thermodynamically prefers to be localized inside amorphous ice and is available for chemical reaction, which may be relevant to water formation in and on grains.

Interstellar Ices

2015 ◽  
pp. 1241-1244
Author(s):  
Douglas Whittet
Keyword(s):  
Interstellar Ices
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