Towards a methodology for breaking carbon-carbon bonds in coal macromolecules. Topical report, July 1986-July 1987

Technical Report · Wed Jul 01 00:00:00 EDT 1987

OSTI ID:6008157

Arnett, E M

Heats of heterolysis were measured for 134 C-C, C-O, C-N and C-S bonds from the reaction of resonance-stabilized ions in 95% Sulfolane/5% 3-methylsulfolane solution at 25 C. A series of equations, with the general form deltaH Het = A + B pKR/sup +/ + C pKa where A, B and C are constants, correlate the measured heats of heterolysis with the stability constants for the carbocations (pKR/sup +/) and the anions (pKa) that are formed upon bond cleavage. Other equations were developed that replace pKR/sup +/ with various other measures of carbocation stability. These equations have improved predictive powers compared to the correlation equations that utilize the pKR/sup +/ variable.

• Research Organization: Duke Univ., Durham, NC (USA). Dept. of Chemistry
• OSTI ID: 6008157
• Report Number(s): PB-88-101829/XAB
• Country of Publication: United States
• Language: English

Related Subjects

01 COAL, LIGNITE, AND PEAT
010600* -- Coal
Lignite
& Peat-- Properties & Composition
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
400201 -- Chemical & Physicochemical Properties
CALORIMETRY
CARBON
CARBONACEOUS MATERIALS
CATIONS
CHARGED PARTICLES
CHEMICAL BONDS
CLEAVAGE
COAL
CRYSTAL STRUCTURE
ELEMENTS
ENERGY SOURCES
ENTHALPY
FOSSIL FUELS
FUELS
IONS
MATERIALS
MICROSTRUCTURE
MOLECULAR STRUCTURE
NONMETALS
PHYSICAL PROPERTIES
STABILITY
THERMODYNAMIC PROPERTIES