The patent badge is an abbreviated version of the USPTO patent document. The patent badge does contain a link to the full patent document.
The patent badge is an abbreviated version of the USPTO patent document. The patent badge covers the following: Patent number, Date patent was issued, Date patent was filed, Title of the patent, Applicant, Inventor, Assignee, Attorney firm, Primary examiner, Assistant examiner, CPCs, and Abstract. The patent badge does contain a link to the full patent document (in Adobe Acrobat format, aka pdf). To download or print any patent click here.
Patent No.:
Date of Patent:
Mar. 18, 2008
Filed:
Apr. 30, 2003
Simon R. Kelemen, Annandale, NJ (US);
Howard Freund, Neshanic Station, NJ (US);
Michael Siskin, Randolph, NJ (US);
David J. Curry, Katy, TX (US);
Yitian Xiao, Sugar Land, TX (US);
William N. Olmstead, Basking Ridge, NJ (US);
Martin L. Gorbaty, Westfield, NJ (US);
A. E. Bence, Friendswood, TX (US);
Simon R. Kelemen, Annandale, NJ (US);
Howard Freund, Neshanic Station, NJ (US);
Michael Siskin, Randolph, NJ (US);
David J. Curry, Katy, TX (US);
Yitian Xiao, Sugar Land, TX (US);
William N. Olmstead, Basking Ridge, NJ (US);
Martin L. Gorbaty, Westfield, NJ (US);
A. E. Bence, Friendswood, TX (US);
Exxonmobil Upstream Research Company, Houston, TX (US);
Abstract
A method of predicting the composition of hydrocarbon products of a complex carbonaceous material when exposed to specific time and temperature conditions is disclosed. In one embodiment, the material is characterized to obtain elemental, chemical and structural parameters. A representative chemical structure of the material is constructed based on the characterization information. The representative chemical structure is then stochastically expanded to a molecular ensemble chemical structural model that includes heteroatoms. The chemical structural model is coupled to a compositional yield model and the composition of the material products is determined using kinetic modeling. Methods are provided of constructing a chemical structural model of complex carbonaceous material, of coupling a molecular ensemble of chemical structures to a thermal chemical mechanism, of updating an ensemble of chemical structures during the kinetic modeling to reflect chemical reaction products and of eliminating molecules from the system.