A method for the rapid, accurate prediction of the physical properties of middle distillate fuels from LC- sup 1 H NMR derived data
Thesis/Dissertation
·
OSTI ID:7016671
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 - {sup 1}H Nuclear Magnetic Resonance Spectrometer (LC-{sup 1}H 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-{sup 1}H NMR data collection and to perform off-line analysis of the LC-{sup 1}H NMR data. This interface and all associated software is described. Also presented is a series of model compounds studies in which the physical properties of pure hydrocarbons (i.e., alkanes, monocyclic and dicyclic aromatics) were predicted by a similar group property approach.
- Research Organization:
- Virginia Polytechnic Inst. and State Univ., Blacksburg, VA (USA)
- OSTI ID:
- 7016671
- Country of Publication:
- United States
- Language:
- English
Similar Records
Rapid prediction of various physical properties for middle distillate fuel utilizing directly coupled liquid chromatography//sup 1/H nuclear magnetic resonance
Liquid chromatography/proton nuclear magnetic resonance spectrometry average composition analysis of fuels
LC-1H NMR characterization studies of tricyclic aromatics and olefins in diesel fuels. Final report, September 1982-31 December 1985
Journal Article
·
Tue Jan 31 23:00:00 EST 1989
· Anal. Chem.; (United States)
·
OSTI ID:6240507
Liquid chromatography/proton nuclear magnetic resonance spectrometry average composition analysis of fuels
Journal Article
·
Fri Dec 31 23:00:00 EST 1982
· Anal. Chem.; (United States)
·
OSTI ID:5058056
LC-1H NMR characterization studies of tricyclic aromatics and olefins in diesel fuels. Final report, September 1982-31 December 1985
Technical Report
·
Mon Feb 17 23:00:00 EST 1986
·
OSTI ID:5847228
Related Subjects
02 PETROLEUM
023000* -- Petroleum-- Properties & Composition
ALKANES
ANTIKNOCK RATINGS
AROMATICS
BOILING POINTS
CARBON
CHROMATOGRAPHY
COMBUSTION PROPERTIES
COMPUTER CALCULATIONS
COMPUTER CODES
DATA ANALYSIS
DENSITY
DISTILLATES
ELEMENTS
ENERGY SOURCES
FORECASTING
FOSSIL FUELS
FUELS
HYDROCARBONS
HYDROGEN 1
HYDROGEN ISOTOPES
ISOTOPES
LIGHT NUCLEI
LIQUID COLUMN CHROMATOGRAPHY
MAGNETIC RESONANCE
MEASURING METHODS
NONMETALS
NUCLEAR MAGNETIC RESONANCE
NUCLEI
ODD-EVEN NUCLEI
ORGANIC COMPOUNDS
PETROLEUM
PETROLEUM DISTILLATES
PETROLEUM FRACTIONS
PHYSICAL PROPERTIES
POUR POINT
RESIDUES
RESONANCE
SEPARATION PROCESSES
STABLE ISOTOPES
THERMODYNAMIC PROPERTIES
TRANSITION TEMPERATURE
VISCOSITY
023000* -- Petroleum-- Properties & Composition
ALKANES
ANTIKNOCK RATINGS
AROMATICS
BOILING POINTS
CARBON
CHROMATOGRAPHY
COMBUSTION PROPERTIES
COMPUTER CALCULATIONS
COMPUTER CODES
DATA ANALYSIS
DENSITY
DISTILLATES
ELEMENTS
ENERGY SOURCES
FORECASTING
FOSSIL FUELS
FUELS
HYDROCARBONS
HYDROGEN 1
HYDROGEN ISOTOPES
ISOTOPES
LIGHT NUCLEI
LIQUID COLUMN CHROMATOGRAPHY
MAGNETIC RESONANCE
MEASURING METHODS
NONMETALS
NUCLEAR MAGNETIC RESONANCE
NUCLEI
ODD-EVEN NUCLEI
ORGANIC COMPOUNDS
PETROLEUM
PETROLEUM DISTILLATES
PETROLEUM FRACTIONS
PHYSICAL PROPERTIES
POUR POINT
RESIDUES
RESONANCE
SEPARATION PROCESSES
STABLE ISOTOPES
THERMODYNAMIC PROPERTIES
TRANSITION TEMPERATURE
VISCOSITY