Simulation of carbon gasification kinetics using an edge recession model
- Pennsylvania State Univ., University Park, PA (United States)
An edge recession modeling method is proposed as a new approach to the prediction of carbon gasification kinetics. Using this method, the variations in reactive surface area (RSA) and specific reactivity (R) with conversion were simulated for several polynuclear aromatic molecules adopted as models of carbon crystallites. The effects of crystallite size and shape, edge site reactivity and vacancies on the changes in RSA and R with conversion were investigated. As a result, RSA and R were found to be essentially independent of crystallite shape, but to depend on crystallite size and the presence of vacancies. Good agreement was obtained between model predictions and experimental data for several kinds of model carbon crystallites. In the case of structurally disordered carbons (such as chars), simultaneous gasification of model crystallites of two different sizes gave better predictions than that of single-size crystallites. The edge recession model is proposed as an alternative, or at least complementary, approach to the more conventional (and, arguably, less physically meaningful) pore structure development models.
- OSTI ID:
- 5832488
- Journal Information:
- AIChE Journal (American Institute of Chemical Engineers); (United States), Vol. 39:7; ISSN 0001-1541
- Country of Publication:
- United States
- Language:
- English
Similar Records
Transient kinetics study of catalytic char gasification in carbon dioxide
Study of char gasification reactions
Related Subjects
COAL GASIFICATION
CHEMICAL REACTION KINETICS
CARBON
CRYSTALS
EXPERIMENTAL DATA
MATHEMATICAL MODELS
MICROSTRUCTURE
POLYCYCLIC AROMATIC HYDROCARBONS
POROSITY
SURFACE AREA
SURFACE PROPERTIES
AROMATICS
DATA
ELEMENTS
GASIFICATION
HYDROCARBONS
INFORMATION
KINETICS
NONMETALS
NUMERICAL DATA
ORGANIC COMPOUNDS
REACTION KINETICS
THERMOCHEMICAL PROCESSES
010404* - Coal
Lignite
& Peat- Gasification