Thermal evolution of acetic acid nanodeposits over 123-180 K on nanocrystalline ice and polycrstalline ice studied by FTIR reflection-absorption spectroscopy: Hydrogen-bonding interactions in acetic acid and between acetic acid and ice
Article Abstract:
Acetic acid vapor-deposited on ultrathin noncrystalline ice (NCI) and polycrystalline ice (PCI) films under ultrahigh vacuum conditions is investigated by using Fourier Transform Infrared Reflection-Absorption Spectroscopy. Coevaporation of acetic acid with water is found to proceed at a faster rate than the subsequent evaporation of acetic acid, which is consistent with the weaker interactions observed in the H-bonded acetic acid hydrate than that in acetic acid solid.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2005
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Probing organic layers on the TiO2(110) surface
Article Abstract:
The interaction of a dangling bond silicon tip and full monolayers of formic and acetic acid and a mixed monolayer of acetic and 3F-acetic acid using first principles methods is studied. The result reveals that the silicon tip interacts more strongly with the substrate and the COO- group than the adsorbed acid headgroups, and therefore, molecules would appear dark in images.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2005
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First-principles based kinetic simulations of acetic acid temperature programmed reaction on Pd(111)
Article Abstract:
A first-principles based stochastic kinetic algorithm is developed and used to monitor the molecular transformations associated with the decomposition acetic acid on Pd(111). Ab initio quantum chemical studies are used to calculate the adsorption energies and key activation barriers.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2001
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