Publication List

Hexadecane mechanisms: Comparison of hand-generated and automatically generated with pathways, Mersin, I. E., Blurock, E., Soyhan, H. S., & Konnov, A., Fuel, 115, 132-144 (2014). DOI:10.1016/j.fuel.2013.06.055

Development of detailed chemical kinetic models for cleaner combustion, Editors: F. Battin-Leclerc, J. M. Simmie, E. Blurock, ISBN: 978-1-4471-5306-1 (Print) 978-1-4471-5307-8 (Online), Springer, 2013

Chapter 1: Introduction, Battin-Leclerc, Frédérique; Blurock, Edward S.; Simmie, John M.; Alzueta, Maria U.; Tomlin, Alison S.; Olzmann, Matthias

Chapter 2: Modeling Combustion with Detailed Kinetic Mechanisms, Blurock, Edward; Battin-Leclerc, Frédérique

Chapter 3: Automatic Generation of Detailed Mechanisms, Blurock, Edward; Battin-Leclerc, Frédérique; Faravelli, Tiziano; Green, William H.

JTHERGAS: Thermodynamic estimation from 2D graphical representations of molecules, Edward S. Blurock, , Valérie Warth, Xavier Grandmougin, Roda Bounaceur, Pierre-Alexandre Glaude, Frédérique Battin-Leclerc, Energy, 43, 161–171 (2012).

Phase Optimized Skeletal Mechanisms for Engine Simulations, Blurock, Edward S., Tuner, Martin, Mauss, Fabian, Combustion Theory and Modeling,14:295-313 (2010).

Towards Ignition Curve Parameterization: Non-linearity of Ignition Progress and Generic Ignition Curves, Blurock, Edward S., Combustion Theory and Modeling, under 2nd revision.

Towards cleaner internal combustion engines through groundbreaking detailed chemical kinetic models, Frédérique Battin-Leclerc, Edward Blurock, René Fournet a Pierre-Alexandre Glaude, Olivier Herbinet and Baptiste Sirjean, Chemical Society Reviews, 40 4762-4782 (2011).

Comprehensive Combustion Mechanism for n-Alkanes to Tetradacane, Blurock, Edward S. in Chemical Engineering Greetings to prof. Eliseo Ranzi, ed. M. Dente, pages: 65-72 Reed Business Information, Milano (Italy) 2008 ISBN: 0390-2358.

Automatic Characterization of Ignition Processes with Machine Learning Clustering Techniques, Blurock, Edward S.; International Journal of Chemical Kinetics, 38 (10): 621-633 (2006).

Automatic Generation of a Detailed Mechanism for the Oxidation of n-Decane, Moréac, G., Blurock, Edward S., and Mauss, F.; Combustion Science Technology 178 (10-11): 2025-2038 (2006).

Phase Optimized Skeleton Mechanisms for Stochastic Reactor Models for Engine Simulation, Tunèr, M., Blurock, Edward S. and Mauss, F.; SAE 2005-01-3813 (2005).

Speed-up of a Stochastic Reactor Model for a Hydrogen Fueled SI Engine by PRISM, Blurock, Edward S., Lehtiniemi, H., Gogan, A., Mauss, F.; Berichte der Energie und Verfahrenstechnik, Schriftenreihe Heft 5.1, Leipertz, A. (Ed.), p. 345 (2005).

Characterizing Complex Reaction Mechanisms using Machine Learning Clustering Techniques, Blurock, Edward S.; International Journal of Chemical Kinetics, 36 (2), 107-118 (2004).

Detailed Mechanism Generation 1: Generalized Reactive Properties as Reaction Class Substructures, Blurock, Edward S.; Journal of Chemical Information and Computer Sciences, 44 (4) 1336-1347 (2004).

Detailed Mechanism Generation 2: Aldehydes, Ketones and Olefins, Blurock, Edward S.; Journal of Chemical Information and Computer Sciences, 44 (4) 1348-1357 (2004).

Gray Level Images: Proposed Method, Blurock, Edward S.; Glantz, R. and Englert, R; 2nd IAPR-TC-15 Workshop on Graph-based representation (1998).

Machine Learning, Blurock, Edward S.; Digital Image Analysis: Selected Techniques and Applications, W. G. Kropatsch and H. Bischof, eds., Springer, New York, (2001).

Use of Atomic and Bond Parameters in a Spectral Representation of a Molecule for Physical Property Determination, Blurock, Edward S.; J. Chem. Inf. Comput. Sci., (1998).

REACTION: Symbolic Methods in the Generation and Analysis of Complex Reaction Systems, Blurock, Edward S; Artificial Intelligence in the Petroleum Industry: Symbolic and Computational Applications II, Braunschweig, Bertrand and Bremdal, Bernt (Eds.), Editions Technip (1996).

Reaction: System for Modeling Chemical Reactions, Blurock, Edward S.; J. Chem. Inf. Comput. Sci., 35, 607-616 (1995).

REACTION: Symbolic Modeling of Complex Reaction Systems, Blurock, Edward S.; 10. CIC-Workshop Information und Wissen am Arbeitsplatz des Chemikers, Hochfilzen, Austria (1995).

Automatic Learning of Chemical Concepts: Research Octane Number and Molecular Substructures, Blurock, Edward S.; Computers and Chemistry, 19, 91-99 (1995).

Computer Aided Synthesis Design at RISC-Linz: Automatic Extraction and Use of Reaction Classes, Blurock, Edward S.; J. Chem. Inf. Comp. Sci., 30, 505 (1990).

Computer-Aided Organic Synthesis: Development and Implementation of a Complete Synthetic Strategy, Blurock, Edward S.; Tetrahedron Computer Methodology, 2, 207 (1989).

Computeruntersützte Syntheseplanung am RISC-LINZ, Blurock, Edward S., Strelow, Thomas; Österreicher Chemiker Zeitung, 1, 13 (1989). Automatic Chemical Synthesis Planning, Blurock, Edward S.; Strelow, Thomas; Dechema-Monographs, {\bf 116}, 531 (1989).

Molecular Orbital Theory of the Properites of Inorganic and Organometallic Compounds. 2. STO-NG Basis Sets for Fourth-Row Main Group Elements, Pietro, William J., Blurock, Edward S., Hout Jr.,

Robert F, Hehre, Warren J., DeFrees, Douglas J., Stewart, Robert F.; Inorganic Chemistry, 20, 3650-3654, (1981).

On the Structure of C₄H₇⁺, Levi, Beverly A, Blurock, Edward S., Hehre, Warren J.; J. Am. Chem. Soc. 101, 5537-5539, (1979).