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DR GABRIEL DA SILVA



Contact Details

Organization: Chemical and Biomolecular Engineering
Position: LECTURER
Email:
Work: +61 3 8344 6627
Fax: +61 3 8344 4153
Room: 06
Level: 03
Building: Chemical Engineering #1
Campus: Parkville

Research Expertise and International Linkages

Research Expertise

Research Interest Key Words Country of Expertise
Computational Chemistry DFT; Ab Initio; Kinetics; Thermodynamics Australia, United States of America
Nitrosation Reactions Nitroso; Nitrosative Stress; Kinetics; Thermodynamics Australia
Combustion Chemistry Kinetics; Aromatics; Ethanol Australia, United States of America

International Linkages

Country Establishment Collaboration
United States of America New Jersey Institute of Technology Research, Teaching

Qualifications, Honours, Fellowships and Other Awards

Qualifications

Title Institution Date Awarded Abbreviation
BACHELOR OF ENGINEERING (CHEMICAL) University of Newcastle 31-Dec-2001
PhD (Chemical Engineering) University of Newcastle 31-Dec-2006

Government Research Classifications

Research Fields, Courses and Discipline Classifications

Socio-Economic Objective Classifications

Publications

Publications produced at the University of Melbourne and reported in the Annual Publications Collection and 'Research Report' since 2001. The Themis Publications module, released in November 2006, allows additional publications from previous institutions and publications from past years to be entered.

Publications in 2009

Journal Articles

  • Ethanol Oxidation: Kinetics of the α-Hydroxyethyl Radical + O2 Reaction


    Year: 2009
    Journal: Journal of Physical Chemistry A
    Volume: 113
    Issue: 31
    Page numbers: 8923-8933
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  • The C7 H5 Fullvenallenyl Radical as a Combustion Intermediate: Potential New Pathways to Two- and Three-Ring PAHs


    Year: 2009
    Journal: Journal of Physical Chemistry A
    Volume: 113
    Issue: 44
    Page numbers: 12045-12048
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  • Benzoxyl Radical Decomposition Kinetics: Formation of Benzaldehyde + H, Phenyl + CH2O, and Benzene + HCO

    Year: 2009
    Journal: Journal of Physical Chemistry A
    Volume: 113
    Issue: 25
    Page numbers: 6979-6986
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  • Decomposition of Methylbenzyl Radicals in the Pyrolysis and Oxidation of Xylenes
    Year: 2009
    Journal: Journal of Physical Chemistry A
    Volume: 113
    Issue: 38
    Page numbers: 10264-10278
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  • Hydroxyl Radical Initiated Oxidation of s-Triazine: Hydrogen Abstraction Is Faster than Hydroxyl Addition
    Year: 2009
    Journal: Journal of Physical Chemistry A
    Volume: 113
    Issue: 30
    Page numbers: 8596-8606
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  • Indene Formation from Alkylated Aromatics: Kinetics and Products of the Fulvenallene + Acetylene Reaction

    Year: 2009
    Journal: Journal of Physical Chemistry A
    Volume: 113
    Issue: 31
    Page numbers: 8971-8978
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  • Kinetic modeling of the benzyl + HO2 reaction

    Year: 2009
    Journal: Proceedings of the Combustion Institute
    Volume: 32
    Issue: 1
    Page numbers: 287-294
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  • Thermal Decomposition of the Benzyl Radical to Fulvenallene (C7H6) + H

    Year: 2009
    Journal: Journal of Physical Chemistry A
    Volume: 113
    Issue: 21
    Page numbers: 6111-6120
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  • Thermal decomposition of pyrazole to vinylcarbene + N 2: A first principles/RRKM study

    Year: 2009
    Journal: Chemical Physics Letters
    Volume: 474
    Issue: 1-3
    Page numbers: 13-17
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Publications in 2008

Journal Articles

  • Retro-[3+2] - Cycloaddition Reactions in the Decomposition of Five-Membered Nitrogen-Containing Heterocycles
    Year: 2008
    Journal: Journal of Organic Chemistry
    Volume: 73
    Issue: 1
    Page numbers: 1343-1353
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  • Variational Analysis of the Phenyl + O2 and Phenoxy + O Reactions
    Year: 2008
    Journal: Journal of Physical Chemistry A
    Volume: 112
    Issue: 1
    Page numbers: 3566-3575
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Conference Publications/Papers

  • Progress In Modeling Aromatic Combustion Kinetics

     


    Year: 2008
    Event name: CHEMECA 2008
    Conference Publication: CHEMECA 2008
    Page numbers: 1-10 (paper 103)
    Publisher: Institute of Engineers Australia
    Author(s):

Publications in 2007

Journal Articles

  • Theoretical Study of the Oxidation Catalyst N-Hydroxyphthalimide (NHPI): Thermochemical Properties, Internal Rotor Potential, and Gas and Liquid-Phase Bond Dissociation Energies


    Year: 2007
    Journal: Journal of Physical Chemistry C
    Volume: 111
    Issue: 1
    Page numbers: 5760-5765
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  • Toluene Combustion: Reaction Paths, Thermochemical Properties and Kinetic Analysis for the Methylphenyl + O2 Reaction


    Year: 2007
    Journal: Journal of Physical Chemistry A
    Volume: 111
    Issue: 1
    Page numbers: 8663-8676
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  • Ab Initio Study of Bonding Between Nucleophilic Species and the Nitroso Group
    Year: 2007
    Journal: Journal of Physical Chemistry A
    Volume: 111
    Issue: 1
    Page numbers: 1300-1306
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  • Elementary Reaction step Model of the N-nitrosation of Ammonia
    Year: 2007
    Journal: International Journal of Chemical Kinetics
    Volume: 39
    Issue: 1
    Page numbers: 645-656
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  • Nucleophilic Reactivity of Aniline Derivatives Towards the Nitroso Group
    Year: 2007
    Journal: Journal of Physical Organic Chemistry
    Volume: 20
    Issue: 1
    Page numbers: 167-179
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  • Quantum Chemical Study of the Thermal Decomposition of Ortho-quinone Methide (6-methylene-2, 4-cyclohexadiene-1-one)
    Year: 2007
    Journal: Journal of Physical Chemistry A
    Volume: 111
    Issue: 1
    Page numbers: 7987-7994
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  • Thermochemistry, Bond Energies, and Internal Rotor Potentials of Dimethyl Tetraoxide
    Year: 2007
    Journal: Journal of Physical Chemistry A
    Volume: 111
    Issue: 47
    Page numbers: 12026-12036
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Publications in 2006

Journal Articles

  • Ab Initio Procedure for Aqueous-Phase pKa Caluculation: the Acidity of Nitrous Acid
    Year: 2006
    Journal: Journal of Physical Chemistry A
    Volume: 110
    Issue: 1
    Page numbers: 11371-11376
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  • An Experimental and Theoretical Study of the Nitrosation of Ammonia and Thiourea
    Year: 2006
    Journal: Chemical Engineering Science
    Volume: 61
    Issue: 1
    Page numbers: 3186-3197
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  • Bond Dissociation Energy of the Phenol O-H Bond From ab Initio Calculations
    Year: 2006
    Journal: Chemical Physics Letters
    Volume: 424
    Issue: 1
    Page numbers: 7925-7934
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  • Enthalpies of Formation, Bond Dissociation Energies and Molecular Structures and the n-aldehydes (Acetaldehyde, Propanal, Butanal, Pentanal, Hexanal and Heptanal) and Their Radicals
    Year: 2006
    Journal: Journal of Physical Chemistry A
    Volume: 110
    Issue: 1
    Page numbers: 13058-13067
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  • Quantum Chemical Study of the Structure and Thermochemistry of the Five-Membered Nitrogen Containing Heterocycles and Their Anions and Radicals
    Year: 2006
    Journal: Journal of Physical Chemistry A
    Volume: 110
    Issue: 1
    Page numbers: 13979-13988
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  • Thermodynamic Properties (enthalpy, bond energy, entropy and heat capacity) and internal rotor potentials of vinyl alcohol, methylvinyl ether and their corresponding radicals
    Year: 2006
    Journal: Journal of Physical Chemistry A
    Volume: 110
    Issue: 1
    Page numbers: 7925-7934
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  • Thermodynamic and ab Initio Analysis of the Controversial Enthalpy of Formation of Formaldehyde
    Year: 2006
    Journal: ChemPhysChem
    Volume: 7
    Issue: 1
    Page numbers: 1119-1126
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  • Water in Oil Emulsion foaming by Thiourea Nitrosation: Reaction and Mass Transfer
    Year: 2006
    Journal: AICHE Journal
    Volume: 52
    Issue: 1
    Page numbers: 1558-1565
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Publications in 2005

Journal Articles

  • Effect of added nucleophilic species on the rate of primary amino acid nitrosation
    Year: 2005
    Journal: Journal of the American Chemical Society
    Volume: 127
    Issue: 1
    Page numbers: 3664-3665
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Publications in 2004

Journal Articles

  • Integrated Kinetic and Thermodynamic Model Describing the Nitrosation of Aniline and Its Derivatives Under Reaction and Encounter-Controlled Conditions
    Year: 2004
    Journal: Industrial & Engineering Chemistry Research
    Volume: 43
    Issue: 1
    Page numbers: 2296-2301
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  • Kinetics and Mechanism of the Bacterial and Ferric Sulphate Oxidation of Galena
    Year: 2004
    Journal: Hydrometallurgy
    Volume: 75
    Issue: 1
    Page numbers: 99-110
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  • Relative Importance of Diffusion and Reaction Control During the Bacterial and Ferric Sulfate Leaching of Zinc Sulfide
    Year: 2004
    Journal: Hydrometallurgy
    Volume: 73
    Issue: 1
    Page numbers: 313-324
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