Publications – Green Research Group

2008
- Robert W. Ashcraft
- William H. Green
2008

Thermochemical Properties and Group Values for Nitrogen-Containing Molecules

Journal of Physical Chemistry A.

112

9144-52
2008
2008

Pulling it all Together: Fuel chemistry modeling across the scales from individual molecules to engine simulations
2007
2007

Obtaining Accurate Solutions using Reduced Chemical Kinetic Models: A new Model Reduction method for models rigorously validated over ranges

Combustion Theory and Modelling

11

127-146
2007
2007

Detailed Kinetic Modeling of Iron Nanoparticle Synthesis from Fe(CO)5

Journal of Physical Chemistry C

111

5677-5688
2007
2007

First Principles Thermochemistry for production of TiO2 from TiCl4

Journal of Physical Chemistry A

111

3560-3565
2007
2007

Measurements and Automated Mechanism Generation Modeling of OH Production in Photolytically-Initiated Oxidation of the Neopentyl Radical

Journal of Physical Chemistry A

111

3891-3900
2007
2007

Pressure and Temperature Dependence of Reaction of Vinyl Radical (C2H3) with Ethylene

Journal of Physical Chemistry A

111

6843-6851
2007

William H. Green

2007

Predictive Kinetics: A New Approach for the 21st Century

Advances in Chemical Engineering

32

1-50
2007
2007

Ab initio Aqueous Thermochemistry: Application to the Oxidation of Hydroxylamine in Nitric Acid Solution

Journal of Physical Chemistry B

111

11968-11983
2007
2007

Effects of Variation in Market Gasoline Properties on HCCI Load Limits

JSAE

SAE-1859
2007
2007

Towards a Comprehensive Model of the Synthesis of TiO2 Particles from TiCl4

Industrial & Engineering Chemistry Research

46

6147-6156
2006
2006

Modeling Oxidation and Hydrolysis Reactions in Supercritical Water: Free Radical Elementary Reaction Networks and their Applications

Combustion Science and Technology

178

363-398
2006
2006

Automatic Reaction Network Generation using RMG for Steam Cracking of n-Hexane

A.I.Ch.E. Journal

52

718-730
2006
2006

Global Dynamic Optimization for Parameter Estimation in Chemical Kinetics

Journal of Physical Chemistry A

110

971-976
2006
2006

Kinetic Modeling to Estimate Fundamental Yield Bounds for Selective Propylene Oxidation over Bifunctional Catalysts

Applied Catalysis A

303

177-191
2006
2006

Accurate and Efficient Estimation Method for Predicting the Thermochemistry of Furans and ortho-Arynes – Expansion of the Bond-Centered Group Additivity Method

Journal of Physical Chemistry A

110

6971-6977
2006
2006

Rigorous Valid Ranges for Optimally-Reduced Kinetic Models

Combustion and Flame

146

348-365
2006
2006

NOx-Mediated Homogeneous Pathways for Formaldehyde Synthesis from Methane-Oxygen Mixtures

Industrial & Eng. Chemistry Research

45

2677-2688
2006
2006

Co-oxidation of Methylphosphonic Acid and Ethanol in Supercritical Water. II. Elementary Reaction Rate Model

Journal of Supercritical Fluids

39

239-245
2005
2005

Interval Methods for Semi-Infinite Programs

Computational Optimization and Applications

30

63-93
2005
2005

Detailed Modeling of PAH and Soot Formation in a Laminar Premixed Benzene/Oxygen/Argon Low-Pressure Flame

Proceedings of the Combustion Institute

30

1397-1405
2005
2005

A Theoretical and Experimental Kinetic Study of Phenyl Radical Addition to Butadiene

Proceedings of the Combustion Institute 30(1

1049-1056
2005
2005

Global Solution of Semi-infinite Programs

Mathematical Programming (Series B)

103

283-307
2005
- Bryan M. Wong
- William H. Green
2005

Effects of Large-Amplitude Torsions on Partition Functions: Beyond the Conventional Separability Assumption

Molecular Physics

103

1027-1034
2005
2005

The Electrostatic Origin of Abrahams Solute Polarity Parameter

Journal of Physical Chemistry B

109

7564-7573