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Search Publications by: David Sheen (Fed)

Displaying 26 - 43 of 43

Classification of biodegradable materials using QSAR modeling with uncertainty estimation

October 6, 2016

Author(s)

Werickson Fortunato de Carvalho Rocha, David Sheen

The ability to determine the biodegradability of chemicals without resorting to expensive tests is ecologically and economically desirable. Models based on quantitative structure-activity relations (QSAR) provide some promise in this direction. However

Chemical kinetic model uncertainty minimization through laminar flame speed measurements

July 25, 2016

Author(s)

Okjoo Park, Peter S. Veloo, David Sheen, Yujie Tao, Fokion N. Egolfopoulos, Hai Wang

Laminar flame speed measurements were carried for mixture of air with eight C3-4 hydrocarbons (propene, propane, 1,3-butadiene, 1-butene, 2-butene, iso-butene, n-butane, and iso-butane) at the room temperature and ambient pressure. Along with C1-2

An Experimental and Kinetic Modeling Study of N-dodecane Pyrolysis and Oxidation in a Flow Reactor

August 31, 2015

Author(s)

S. Banerjee, Rei Tangko, David Sheen, Hai Wang, Craig T. Bowman

N-dodecane (n-C12H26) is a straight chain alkane that forms an important constituent of surrogate blends for common aviation fuels such as JP8 and Jet-A. The current study investigates n-dodecane pyrolysis and oxidation kinetics in the intermediate

Kinetics of the Reactions of H and CH3 with n-Alkanes: Experiments with n-Butane and a Reevaluation Based on a Combustion Model Reaction Network Analysis

July 16, 2015

Author(s)

Jeffrey A. Manion, David A. Sheen, Iftikhar A. Awan

Presented is a combined experimental and modeling study of the kinetics of the reactions of H and CH3 with n-butane, a representative aliphatic fuel. Abstraction of H from n-alkane fuels creates alkyl radicals that rapidly decompose at high temperatures to

Combustion Kinetic Model Uncertainty Quantification, Propagation and Minimization

November 29, 2014

Author(s)

Hai Wang, David Sheen

The current interest in the combustion chemistry of hydrocarbon fuels, including the various alcohol and biodiesel compounds, motivates this review of the methods and application of kinetic uncertainty quantification (UQ). Our intent is to provide a self

Skeletal Reaction Model Generation, Uncertainty Quantification and Minimization: Combustion of Butane

August 20, 2014

Author(s)

Yuxuan Xin, David Sheen, Hai Wang, Chung K. Law

Skeletal reaction models for n-butane and iso-butane combustion are derived from the detailed chemistry model of USC Mech II through directed relation graph (DRG) and DRG aided sensitivity analysis (DRGASA) methods. It is shown that the accuracy of the

Kinetics of the reactions of H and CH3 radicals and n-butane: An experimental design study using reaction network analysis

June 17, 2014

Author(s)

David A. Sheen, Jeffrey A. Manion

The oxidation of hydrocarbon fuels proceeds through the attack of small radicals such as H and CH3 on large molecules. These radicals abstract H atoms from the large molecules, which then usually proceed by β-scission to form C2H4 and C3H6. Quantifying

A comparison of literature models for the oxidation of normal heptane

February 1, 2014

Author(s)

David A. Sheen, Wing Tsang

The development of detailed chemical kinetic models has proceeded unabated since the pioneering work of Dixon-Lewis and coworkers forty-five years ago. In that time, computational power has increased ten million-fold, and yet, we do not have a consensus on

Kinetics of H atom attack on unsaturated hydrocarbons using spectral uncertainty propagation and minimization techniques

July 2, 2012

Author(s)

David A. Sheen, Claudette M. Rosado-Reyes, Wing Tsang

Unsaturated hydrocarbons are an important component of hydrocarbon fuels and intermediates in their oxidation. Under rich conditions, H atom attack is one of the principle pathways of the decomposition of these unsaturated compounds. Consequently, it is