A chemical percolation model for coal devolatilization: Milestone report

Technical Report · Fri May 01 00:00:00 EDT 1992

OSTI ID:10153584

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

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

The chemical percolation devolatilization (CPD) model describes the devolatilization behavior of rapidly heated coal based on the chemical structure of the parent coal. This document provides complete details of the development of the CPD model. Percolation lattice statistics are employed to describe the generation of tar precursors of finite size based on the number of cleaved labile bonds in the infinite coal lattice. The chemical percolation devolatilization model described here includes treatment of vapor- liquid equilibrium and a crosslinking mechanism. The crosslinking mechanism permits reattachment of metaplast to the infinite char matrix. A generalized vapor pressure correlation for high molecular weight hydrocarbons, such as coal tar, is proposed based on data from coal liquids. Coal-independent kinetic parameters are employed. Coal-dependent chemical structure coefficients for the CPD model are taken directly from {sup 13}C NMR measurements, with the exception of one empirical parameter representing the population of char bridges in the parent coal. This is in contrast to the previous and common practice of adjusting input coefficients to precisely match measured tar and total volatiles yields.

• Research Organization: Sandia National Labs., Livermore, CA (United States)
• Sponsoring Organization: USDOE, Washington, DC (United States); National Science Foundation, Washington, DC (United States)
• DOE Contract Number: AC04-76DR00789
• OSTI ID: 10153584
• Report Number(s): SAND-92-8207; ON: DE92015989
• Resource Relation: Other Information: PBD: May 1992
• Country of Publication: United States
• Language: English

Related Subjects

01 COAL, LIGNITE, AND PEAT
99 GENERAL AND MISCELLANEOUS//MATHEMATICS, COMPUTING, AND INFORMATION SCIENCE
COAL
DEVOLATILIZATION
MICROSTRUCTURE
MATHEMATICAL MODELS
HEAT TREATMENTS
CROSS-LINKING
CHEMICAL REACTION KINETICS
NUCLEAR MAGNETIC RESONANCE
CARBON 13
PYROLYSIS PRODUCTS
CHROMATOGRAPHY
MASS SPECTROSCOPY
010409
990200
PYROLYSIS AND CARBONIZATION
MATHEMATICS AND COMPUTERS