Pyrolysis behaviors of model compounds with representative oxygen-containing functional groups in coal over calcium

Abstract Inverse gas-solid chromatography, operated at infinite dilution, has been used to assess the surface energies of silicas, both fumed and precipitated. The dispersive components of the surface free energies of the silicas were calculated from the free energies of adsorption, corresponding to the —CH2— group, obtained from n-alkane adsorption. The specific components of the surface energies were evaluated separately by comparison of the free energies of adsorption of polar probes with those of n-alkanes, based on the surface areas covered by the probe molecules. The results indicate that while the dispersive components of silica surface energies is somewhat higher for the fumed silicas, the specific components are much higher for precipitated silicas, probably resulting from the higher silanol concentration on their surfaces. Moreover, the interaction able to take place between rubber matrix and the silicas are also estimated chromatographically from the adsorptions of low-molecular-weight analogs of elastomers. The free energies and enthalpies indicate that the interactions of functional groups with the fillers decrease in the order of nitrile, phenyl ring, double bond. The saturated rubber analogs show lower interactions with silicas. The lowest interactions of iso-alkanes imply poor interactions between butyl rubber and the fillers. As expected, the experimental data reflect an attenuation of polymer-silica interactions with decreasing content of functional groups and degree of unsaturation in NR, BR, SBR, and NBR.

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Chlorite formation during ClO2 oxidation of model compounds having various functional groups and humic substances

Water Research ◽

10.1016/j.watres.2019.05.020 ◽

2019 ◽

Vol 159 ◽

pp. 348-357 ◽

Cited By ~ 16

Author(s):

Wenhui Gan ◽

Sirong Huang ◽

Yuexian Ge ◽

Tom Bond ◽

Paul Westerhoff ◽

...

Keyword(s):

Humic Substances ◽

Functional Groups ◽

Model Compounds

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Reactions of Polyphosphoric Acid and Bitumen Model Compounds with Oxygenated Functional Groups: Where Is the Phosphorylation?

Energy & Fuels ◽

10.1021/ef800511v ◽

2008 ◽

Vol 22 (6) ◽

pp. 4151-4157 ◽

Cited By ~ 11

Author(s):

J-F. Masson ◽

M. Gagné ◽

G. Robertson ◽

P. Collins

Keyword(s):

Functional Groups ◽

Polyphosphoric Acid ◽

Model Compounds ◽

Oxygenated Functional Groups

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Freeze-Dried Biomolecules: FT-ICR Studies of the Specific Solvation of Functional Groups and Clathrate Formation Observed by the Slow Evaporation of Water from Hydrated Peptides and Model Compounds in the Gas Phase

Journal of the American Chemical Society ◽

10.1021/ja982075x ◽

1998 ◽

Vol 120 (45) ◽

pp. 11758-11765 ◽

Cited By ~ 129

Author(s):

Sang-Won Lee ◽

Patrick Freivogel ◽

Thomas Schindler ◽

J. L. Beauchamp

Keyword(s):

Gas Phase ◽

Functional Groups ◽

Slow Evaporation ◽

Model Compounds ◽

Clathrate Formation ◽

Specific Solvation ◽

Freeze Dried ◽

Ft Icr

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Thermal Dehydrochlorination of Poly(vinyl chloride) Model Compounds. II. Computer Analysis of Kinetic Results

Australian Journal of Chemistry ◽

10.1071/ch9910581 ◽

1991 ◽

Vol 44 (4) ◽

pp. 581 ◽

Cited By ~ 1

Author(s):

NM Boughdady ◽

KR Chynoweth ◽

DG Hewitt

Keyword(s):

Computer Simulation ◽

Thermal Degradation ◽

Functional Groups ◽

Vinyl Chloride ◽

Computer Analysis ◽

Condensed Phase ◽

Allylic Rearrangement ◽

Model Compounds ◽

Relative Significance ◽

Poly Vinyl Chloride

Computer simulation has been used to analyse the condensed-phase thermal degradation of a series of compounds with functional groups related to defects found in poly(vinyl chloride) ( pvc ). We have been able to estimate the relative significance of catalysed and non- catalysed processes and make some estimates of the significance of allylic rearrangement.

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