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Chemicals, plastics and rubber industries

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The Kauzmann paradox at constant volume

Article Abstract:

The entropy of o-terphenyl in the liquid and crystalline state heated at constant volume is calculated from calorimetric data at a pressure of 0.1MPa and equation of state data. The specific heat is found to fit the same functional form as that at 0.1MPa and leads to a vanishing of the excess entropy at the same Kauzmann temperature adding confirmation to the significance of the Kauzmann extrapolation and contradicts the expectation that constant volume heating would show qualitatively different behavior from isobaric heating.

Author: Goldstein, Martin
Publisher: American Chemical Society
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2006
Methods, Calorimetry

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An efficient, path-independent method for free-energy calculations

Article Abstract:

A novel method is introduced to calculate free-energy differences that are path-independent by transforming each end state into a reference state in which the vibrational entropy is the sole component of the total entropy, thus allowing direct computation of the relative free energy. The results show that low-free-energy conformations achieve their stability through optimal trade off between enthalpic gains due to favorable interatomic interactions and entropic losses incurred by the same.

Author: Tyka, Michael D., Clarke, Anthony R., Sessions, Richard B.
Publisher: American Chemical Society
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2006
Conformational analysis, Electron-electron interactions

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Adsorption of phenylactylene on Si(100)-2 x 1: Kinetics and structure of the adlayer

Article Abstract:

A study on direct adsorption of phenylacetylene on clean silicon surface Si(100)-2 x 1 is conducted in ultrahigh vacuum (UHV). Scanning tunnel microscopy (STM) images of weakly covered surfaces provide evidence of two very distinct adsorption geometries for phenylacetylene, with slightly different initial sticking probabilities.

Author: Pluchery, Olivier, Coustel, Romain, Witkowski, Nadine, Borensztein, Yves
Publisher: American Chemical Society
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2006
Usage, Scanning tunneling microscopy, Acetylene

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Subjects list: Analysis, Entropy (Physics), Entropy (Thermodynamics), Chemical properties, Phenyl compounds
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