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Chemicals, plastics and rubber industries

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Use of solid insertion probe mass spectrometry and constant rate thermal analysis in the study of materials: determination of apparent activation energies and mechanisms of solid-state decomposition reactions

Article Abstract:

A study describes a solid insertion probe-mass spectrometry (SIP-MS) system using low-mass samples that are heated under high vacuum to provide almost ideal experimental conditions for the measurement of apparent activation energies and the study of mechanisms of solid-state decompositions that produce a gas or gases. This SIP-MS system was used with both linear heating and constant rate thermal analysis methods to investigate the decomposition of sodium hydrogen carbonate and calcium carbonate. Results are discussed.

Author: Tiernan, M.J., Barnes, P.A., Parkes, G.M.B.
Publisher: American Chemical Society
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 1999
Methods, Spectrum analysis, Spectroscopy, Chemical reactions, Carbonates, Thermal analysis

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Theoretical characterization of the (H2O)21 cluster: Application of an n-body decomposition procedure

Article Abstract:

Two low-energy minima of (H2O)21 with very different H-bonding arrangements are investigated with the B3LYP density functional and RIMP2 methods, and with TIP4P, Dang-Chang, AMOEBA, and TTM2-F force fields. Insights into the role of many-body polarization for establishing the relative stability of the two isomers is provided by an n-body decomposition of the energies calculated using the various theoretical methods.

Author: Jordan, Kenneth D., Jun Cui
Publisher: American Chemical Society
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2006
Hydrogen bonding, Hydrogen bonds, Density functionals, Density functional theory

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Decomposition of saturated hydrocarbons adsorbed on Ni(755): comparison of decomposition starting temperatures among cyclic and straight-chain hydrocarbons

Article Abstract:

The surface chemistry of saturated hydrocarbons (cyclic and straight-chains ones between C5 and C8) absorbed on a stepped Ni(755) {Ni(S)[6(111) x (100)]} is studied mainly with temperature-programmed desorption (TPD). A relationship between decomposition starting temperature of the hydrocarbons and their structures and desorption energy is obtained and decomposition mechanism of hydrocarbons is discussed.

Author: Orita, Hideo, Kondoh, Hiroshi, Nozoye, Hisakazu
Publisher: American Chemical Society
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2000
Nickel, Thermal properties, Hydrocarbons

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Subjects list: Analysis, Decomposition (Chemistry)
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