Mechanism of hydrogen incorporation in coal liquefaction

Technical Report · Wed Jan 01 00:00:00 EST 1992

DOI:https://doi.org/10.2172/6879027· OSTI ID:6879027

Continued Analysis of Diphenylethane Results. We are continuing to try to match the data from these experiments to mechanistic models. If all of the logical steps are included, we arrive at a set of 28 reactions just to produce the major initial products (> 2% of total). This only includes monodeuterated products. This large set is rather unwieldy and the interconnections between reactions so complex that we found it difficult to handle. Specifically, it was hard to predict the effects of changes in a particular rate constant on the behavior of the system as a whole. With 28 rate constants to change, fitting the data looked like a long-term project. We've had better luck with the simpler approach of trying to get a rough match using only the 8 reactions shown in Figure 1. These account only for the introduction of deuterium into starting diphenylethane and the formation of toluene. We felt if we could get close to an accommodation of the data with this simple scheme, we could then approach the full set of products by elaboration and fine tuning.

• Research Organization: Kentucky Univ., Lexington, KY (United States)
• Sponsoring Organization: USDOE; USDOE, Washington, DC (United States)
• DOE Contract Number: FG22-91PC91291
• OSTI ID: 6879027
• Report Number(s): DOE/PC/91291-T5; ON: DE93006479
• Country of Publication: United States
• Language: English

Related Subjects

01 COAL, LIGNITE, AND PEAT
COAL LIQUEFACTION
CHEMICAL REACTIONS
MATHEMATICAL MODELS
DEUTERIUM
PROGRESS REPORT
TRACER TECHNIQUES
DOCUMENT TYPES
HYDROGEN ISOTOPES
ISOTOPE APPLICATIONS
ISOTOPES
LIGHT NUCLEI
LIQUEFACTION
NUCLEI
ODD-ODD NUCLEI
STABLE ISOTOPES
THERMOCHEMICAL PROCESSES
010405* - Coal
Lignite
& Peat- Hydrogenation & Liquefaction