Global Chemical Kinetics of Fossil Fuels
How to Model Maturation and Pyrolysis
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Article
Open AccessNew thermal decomposition pathway for TATB
Understanding the thermal decomposition behavior of TATB (1,3,5-triamino-2,4,6-trinitrobenzene) is a major focus in energetic materials research because of safety issues. Previous research and modelling effort...
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Living Reference Work Entry In depth
Van Krevelen Diagrams
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Article
A Thermoplasticity Model for Oil Shale
Several regions of the world have abundant oil shale resources, but accessing this energy supply poses a number of challenges. One particular difficulty is the thermomechanical behavior of the material. When h...
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Book
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Article
Response to statements by Professor Šesták concerning logistic equations in kinetics
The validity of various arguments concerning the identity of the Šesták–Berggren equation is discussed. There is no significant basis for the assertion that the mn logistic kinetic equation should have that name ...
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Article
Use and misuse of logistic equations for modeling chemical kinetics
A generalized logistic function has been proposed as a kinetic analysis method that is superior to traditional methods. In fact, the parameter τ in the generalized logistic function has an effect on the reaction...
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Chapter
Introduction to Chemical Kinetics
After introducing the basis of the Arrhenius equation and its relationship to transition-state theory , forms of global chemical kinetic models are summarized, including shrinking core and pseudo nth-order reacti...
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Chapter
Pyrolysis in Open Systems
Methods are reviewed for how to measure pyrolysis kinetics under atmospheric or lower pressure. The effects of heat and mass transfer on apparent chemical reaction rates are discussed, including limits for hea...
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Chapter
Pyrolysis in Closed Systems
The reactions of coal and sapropelic kerogen in a closed system are reviewed. A range of chemical kinetic models that include primary and secondary reactions are described, including compositional models of ....
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Classification and Characterization
The main types of sedimentary organic matter are described, including how they transform from one form to another during progressive burial in the subsurface and how they have been categorized over the past ce...
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Chapter
Structures of Coal, Kerogen, and Asphaltenes
Hypothetical molecular structures of humic coal, sapropelic kerogens, and asphaltenes are described, including how they change with maturity and how they have been refined over the past 75 years with advances ...
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Pyrolysis in Semi-Open Systems
Effects of pressure on product transport and enhanced secondary reactions are described, including simple ways of modeling them and the beneficial effect of H2. Fractionation of molecular types during vaporizati...
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Applications to Fossil Fuel Processes
The use of global chemical kinetics to model petroleum formation and primary migration, oil shale , coal , and coal is described. The history of reasonable prediction of petroleum generation is reviewed, i...
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Article
Comments on Lerche (1993) and Liu and Lerche (1993)
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Chapter
Relationship between Hydrous and Ordinary Pyrolysis
Pyrolysis results are reviewed briefly with the intent of drawing comparisons between open, high pressure, and hydrous pyrolysis. Empirically, the degree of pyrolysis severity to form volatile products in open...
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Chemical Kinetics and Oil Shale Process Design
Oil shale processes are reviewed with the goal of showing how chemical kinetics influences the design and operation of different processes for different types of oil shale. Reaction kinetics are presented for ...
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Article
Kerogen model breakdown: Comments to Lerche (1991) and Liu and Lerche (1990)
