A chemical model of coal devolatilization using percolation lattice statistics

Conference · Wed Jun 01 04:00:00 EDT 1988 · Am. Chem. Soc., Div. Gas Fuel Chem., Prepr.; (United States)

OSTI ID:6475216

Grant, D M; Pugmire, R J ^[1]; Fletcher, T H; Kerstein, A R ^[2]

---

1. Univ. of Utah, Salt Lake City, UT (US)
2. Sandia National Labs., Livermore, CA (US)

The authors have developed a model for coal devolatilization that incorporates the diversity of coal structure in such a way that the analytical data obtained from solid state NMR provides the initial input data. Using an experimentally determined kinetic rate parameters, it is possible to fit the gas, tar and char production of a lignite and high volatile bituminous coal. The authors have employed percolation theory to provide analytical expressions for the lattice statistics required in devolatilization modeling. The percolation theory allows one to avoid the more time consuming Monte Carlo technique with no loss of generality or important statistical features. Percolation theory analytically describes the size distribution of finite clusters of sites joined by intact bridges but isolated from all remaining sites by broken bridges. The theory specifies a critical bridge population, depending only on the site coordination number, above which infinite arrays will coexist with clusters of finite size. The details of the model are discussed together with the results obtained in modeling devolatilization behavior of coals of various ranks.

• OSTI ID: 6475216
• Report Number(s): CONF-8806136-
• Conference Information: Journal Name: Am. Chem. Soc., Div. Gas Fuel Chem., Prepr.; (United States) Journal Volume: 33:2
• Country of Publication: United States
• Language: English

Related Subjects

01 COAL, LIGNITE, AND PEAT
010300* -- Coal
Lignite
& Peat-- Preparation-- (1987-)
010409 -- Coal
Lignite
& Peat-- Pyrolysis & Carbonization-- (1987-)
014000 -- Coal
Lignite
& Peat-- Combustion
ANALYTICAL SOLUTION
BITUMINOUS COAL
BLACK COAL
BROWN COAL
CARBONACEOUS MATERIALS
CHARS
CHEMICAL REACTIONS
COAL
COAL GAS
COAL RANK
COMBUSTION PRODUCTS
DATA
DATA ANALYSIS
DECOMPOSITION
DEVOLATILIZATION
ENERGY SOURCES
FLUIDS
FOSSIL FUELS
FUELS
GASES
INFORMATION
LIGNITE
MAGNETIC RESONANCE
MATERIALS
MATHEMATICAL MODELS
MOLECULAR STRUCTURE
MONTE CARLO METHOD
NMR SPECTRA
NUCLEAR MAGNETIC RESONANCE
NUMERICAL DATA
ORGANIC COMPOUNDS
OTHER ORGANIC COMPOUNDS
PARAMETRIC ANALYSIS
PYROLYSIS
PYROLYSIS PRODUCTS
RESONANCE
SPECTRA
STATISTICAL DATA
TAR
THERMOCHEMICAL PROCESSES