title: Reduced combustion mechanism for C1-C4hydrocarbons and its application in computational fluid dynamics flare modeling.
abstract: Emissions from flares constitute unburned hydrocarbons, carbon monoxide (CO), soot, and other partially burned and altered hydrocarbons along with carbon dioxide (CO2) and water. Soot or visible smoke is of particular concern for flare operators/regulatory agencies. The goal of the study is to develop a computational fluid dynamics (CFD) model capable of predicting flare combustion efficiency (CE) and soot emission. Since detailed combustion mechanisms are too complicated for (CFD) application, a 50-species reduced mechanism, LU 3.0.1, was developed. LU 3.0.1 is capable of handling C4hydrocarbons and soot precursor species (C2H2, C2H4, C6H6). The new reduced mechanism LU 3.0.1 was first validated against experimental performance indicators: laminar flame speed, adiabatic flame temperature, and ignition delay. Further, CFD simulations using LU 3.0.1 were run to predict soot emission and CE of air-assisted flare tests conducted in 2010 in Tulsa, Oklahoma, using ANSYS Fluent software. Results of non-premixed probability density function (PDF) model and eddy dissipation concept (EDC) model are discussed. It is also noteworthy that when used in conjunction with the EDC turbulence-chemistry model, LU 3.0.1 can reasonably predict volatile organic compound (VOC) emissions as well.
  
  
  
  A reduced combustion mechanism containing 50 C1-C4species and soot precursors has been developed and validated against experimental data. The combustion mechanism is then employed in the computational fluid dynamics (CFD) of modeling of soot emission and combustion efficiency (CE) of controlled flares for which experimental soot and CE data are available. The validated CFD modeling tools are useful for oil, gas, and chemical industries to comply with U.S. Environmental Protection Agency's (EPA) mandate to achieve smokeless flaring with a high CE.
authors.affiliation: a Dan F. Smith Department of Chemical Engineering , Lamar University , Beaumont , TX , USA.
authors.forename: Vijaya
authors.initials: V
authors.lastname: Damodara
authors.affiliation: a Dan F. Smith Department of Chemical Engineering , Lamar University , Beaumont , TX , USA.
authors.forename: Daniel H
authors.initials: DH
authors.lastname: Chen
authors.affiliation: a Dan F. Smith Department of Chemical Engineering , Lamar University , Beaumont , TX , USA.
authors.forename: Helen H
authors.initials: HH
authors.lastname: Lou
authors.affiliation: a Dan F. Smith Department of Chemical Engineering , Lamar University , Beaumont , TX , USA.
authors.forename: Kader M A
authors.initials: KM
authors.lastname: Rasel
authors.affiliation: a Dan F. Smith Department of Chemical Engineering , Lamar University , Beaumont , TX , USA.
authors.forename: Peyton
authors.initials: P
authors.lastname: Richmond
authors.affiliation: a Dan F. Smith Department of Chemical Engineering , Lamar University , Beaumont , TX , USA.
authors.forename: Anan
authors.initials: A
authors.lastname: Wang
authors.affiliation: b Department of Mechanical Engineering , Lamar University , Beaumont , TX , USA.
authors.forename: Xianchang
authors.initials: X
authors.lastname: Li
mesh_terms: D000393:Air Pollutants / Q000032:analysis*; D000397:Air Pollution / Q000032:analysis*; D004784:Environmental Monitoring / Q000379:methods*; D005390:Fires; D006838:Hydrocarbons / Q000032:analysis*; D057446:Hydrodynamics; D008956:Models, Chemical; D053260:Soot / Q000032:analysis*; D013696:Temperature; D055549:Volatile Organic Compounds / Q000032:analysis
chemical_list: D000393:Air Pollutants; D006838:Hydrocarbons; D053260:Soot; D055549:Volatile Organic Compounds