Computational Analyses of Complex Flows with Chemical Reactions

abstract: The heat and mass transfer phenomena in micro-scale for the mass transfer phenomena on drug in cylindrical matrix system, the simulation of oxygen/drug diffusion in a three dimensional capillary network, and a reduced chemical kinetic modeling of gas turbine combustion for Jet propellant-1...

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Other Authors: Bae, Kang-Sik (Author)
Format: Doctoral Thesis
Language:English
Published: 2012
Subjects:
Online Access:http://hdl.handle.net/2286/R.I.14749
id ndltd-asu.edu-item-14749
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spelling ndltd-asu.edu-item-147492018-06-22T03:02:46Z Computational Analyses of Complex Flows with Chemical Reactions abstract: The heat and mass transfer phenomena in micro-scale for the mass transfer phenomena on drug in cylindrical matrix system, the simulation of oxygen/drug diffusion in a three dimensional capillary network, and a reduced chemical kinetic modeling of gas turbine combustion for Jet propellant-10 have been studied numerically. For the numerical analysis of the mass transfer phenomena on drug in cylindrical matrix system, the governing equations are derived from the cylindrical matrix systems, Krogh cylinder model, which modeling system is comprised of a capillary to a surrounding cylinder tissue along with the arterial distance to veins. ADI (Alternative Direction Implicit) scheme and Thomas algorithm are applied to solve the nonlinear partial differential equations (PDEs). This study shows that the important factors which have an effect on the drug penetration depth to the tissue are the mass diffusivity and the consumption of relevant species during the time allowed for diffusion to the brain tissue. Also, a computational fluid dynamics (CFD) model has been developed to simulate the blood flow and oxygen/drug diffusion in a three dimensional capillary network, which are satisfied in the physiological range of a typical capillary. A three dimensional geometry has been constructed to replicate the one studied by Secomb et al. (2000), and the computational framework features a non-Newtonian viscosity model for blood, the oxygen transport model including in oxygen-hemoglobin dissociation and wall flux due to tissue absorption, as well as an ability to study the diffusion of drugs and other materials in the capillary streams. Finally, a chemical kinetic mechanism of JP-10 has been compiled and validated for a wide range of combustion regimes, covering pressures of 1atm to 40atm with temperature ranges of 1,200 K - 1,700 K, which is being studied as a possible Jet propellant for the Pulse Detonation Engine (PDE) and other high-speed flight applications such as hypersonic missiles. The comprehensive skeletal mechanism consists of 58 species and 315 reactions including in CPD, Benzene formation process by the theory for polycyclic aromatic hydrocarbons (PAH) and soot formation process on the constant volume combustor, premixed flame characteristics. Dissertation/Thesis Bae, Kang-Sik (Author) Lee, Taewoo (Advisor) Huang, Huei-Ping (Committee member) Calhoun, Ronald (Committee member) Phelan, Patrick (Committee member) Lopez, Juan (Committee member) Arizona State University (Publisher) Aerospace engineering chemical kinetic combustion diffusion JP-10 mass transfer reaction mechanism eng 246 pages Ph.D. Aerospace Engineering 2012 Doctoral Dissertation http://hdl.handle.net/2286/R.I.14749 http://rightsstatements.org/vocab/InC/1.0/ All Rights Reserved 2012
collection NDLTD
language English
format Doctoral Thesis
sources NDLTD
topic Aerospace engineering
chemical kinetic
combustion
diffusion
JP-10
mass transfer
reaction mechanism
spellingShingle Aerospace engineering
chemical kinetic
combustion
diffusion
JP-10
mass transfer
reaction mechanism
Computational Analyses of Complex Flows with Chemical Reactions
description abstract: The heat and mass transfer phenomena in micro-scale for the mass transfer phenomena on drug in cylindrical matrix system, the simulation of oxygen/drug diffusion in a three dimensional capillary network, and a reduced chemical kinetic modeling of gas turbine combustion for Jet propellant-10 have been studied numerically. For the numerical analysis of the mass transfer phenomena on drug in cylindrical matrix system, the governing equations are derived from the cylindrical matrix systems, Krogh cylinder model, which modeling system is comprised of a capillary to a surrounding cylinder tissue along with the arterial distance to veins. ADI (Alternative Direction Implicit) scheme and Thomas algorithm are applied to solve the nonlinear partial differential equations (PDEs). This study shows that the important factors which have an effect on the drug penetration depth to the tissue are the mass diffusivity and the consumption of relevant species during the time allowed for diffusion to the brain tissue. Also, a computational fluid dynamics (CFD) model has been developed to simulate the blood flow and oxygen/drug diffusion in a three dimensional capillary network, which are satisfied in the physiological range of a typical capillary. A three dimensional geometry has been constructed to replicate the one studied by Secomb et al. (2000), and the computational framework features a non-Newtonian viscosity model for blood, the oxygen transport model including in oxygen-hemoglobin dissociation and wall flux due to tissue absorption, as well as an ability to study the diffusion of drugs and other materials in the capillary streams. Finally, a chemical kinetic mechanism of JP-10 has been compiled and validated for a wide range of combustion regimes, covering pressures of 1atm to 40atm with temperature ranges of 1,200 K - 1,700 K, which is being studied as a possible Jet propellant for the Pulse Detonation Engine (PDE) and other high-speed flight applications such as hypersonic missiles. The comprehensive skeletal mechanism consists of 58 species and 315 reactions including in CPD, Benzene formation process by the theory for polycyclic aromatic hydrocarbons (PAH) and soot formation process on the constant volume combustor, premixed flame characteristics. === Dissertation/Thesis === Ph.D. Aerospace Engineering 2012
author2 Bae, Kang-Sik (Author)
author_facet Bae, Kang-Sik (Author)
title Computational Analyses of Complex Flows with Chemical Reactions
title_short Computational Analyses of Complex Flows with Chemical Reactions
title_full Computational Analyses of Complex Flows with Chemical Reactions
title_fullStr Computational Analyses of Complex Flows with Chemical Reactions
title_full_unstemmed Computational Analyses of Complex Flows with Chemical Reactions
title_sort computational analyses of complex flows with chemical reactions
publishDate 2012
url http://hdl.handle.net/2286/R.I.14749
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