A method for the rapid, accurate prediction of the physical properties of middle distillate fuels from LC-¹H NMR derived data

A method has been developed whereby various physical properties of middle distillate fuels may be rapidly and accurately calculated by a group property approach from data obtained from a directly coupled Liquid Chromatograph -⁻¹H Nuclear Magnetic Resonance Spectrometer (LC-⁻¹H NMR). The physical properties include cetane number, cetane index, density, specific gravity, pour point, flash point, viscosity, filterability, heat of combustion, cloud point, volume percent aromatics, residual carbon content, and initial, 10%, 50%, 90%, and end boiling points. These property predictions have accuracies approaching the error for measurement of the experimental physical property and require less than two hours analysis time per fuel. An interface was developed between the NMR spectrometer and a personal computer to aid in automation of the LC-⁻¹H NMR data collection and to perform off-line analysis of the LC·⁻¹H NMR data. This interface and all associated software is described. Also presented is a series of model compound studies in which the physical properties of pure hydrocarbons (i.e., alkanes, monocyclic and dicyclic aromatics) were predicted by a similar group property approach.

Name thesis:degree_name

Ph. D.

Level thesis:degree_level

doctoral

Discipline thesis:degree_discipline

Chemistry

Department dc:contributor.department

Chemistry

Grantor dc:publisher

Virginia Polytechnic Institute and State University

Year dc:date.issued

1988

Author dc:creator

• Caswell, Allen

Chair dc:contributor.committeechair

• Dorn, Harry C.

Committee members dc:contributor.committeemember

• Taylor, Larry T.
• Dessy, Raymond E.
• Wolfe, J.F.
• Tanko, James M.

Statement dc:rights

• In Copyright

Licence dc:rights.uri

• http://rightsstatements.org/vocab/InC/1.0/

Language dc:language.iso

en_US

Handle dc:identifier.uri

http://hdl.handle.net/10919/53926

OAI identifier oai:identifier

oai:vtechworks.lib.vt.edu:10919/53926