A systematic framework for rational formulation and design of materials

Materials Design Approaches and Experiences

Volumn , Issue , 2001, Pages 321-332

  Katare, Santhoji ^a   Patkar, Priyan ^a   Ghosh, Prasenjeet ^a   Caruthers, James M ^a   Delgass, W Nicholas ^a   Venkatasubramanian, Venkat ^a  

^a PURDUE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ARTIFICIAL INTELLIGENCE; CATALYSTS; ELASTOMERS; EVOLUTIONARY ALGORITHMS; MATERIALS SCIENCE;

MATERIALS DESIGN;

COMPUTER AIDED DESIGN;

EID: 0035792108     PISSN: None     EISSN: None     Source Type: Conference Proceeding    
DOI: None     Document Type: Conference Paper

References (18)

1. V. Venkatasubramanian, A. Sundaram, K. Chan, and J.M. Caruthers, In: J. Devillers, ed., Genetic algorithms in molecular modeling, (London, 1996), 271.
2. Y Bard Nonlinear Parameter Estimation (New York, NY: Academic press, 1974).
3. S.E. Prickett and M. Mavrovouniotis, "Construction of Complex Reaction Systems - I. Reaction Description Language", Comp Chem. Engg., 21, (11) (1997), 1219-1235.
4. A. Sundaram, P. Ghosh, J.M. Caruthers and V. Venkatasubramanian, "Design of Fuel-Additives Using Neural Networks and Evolutionary Algorithms", AIChE J. (in press).
5. D.E. Goldberg, Genetic algorithms in search, optimization and machine learning (Mass: Reading, 1989).
6. A. Sundaram, P. Ghosh, J.M. Caruthers and V Venkatasubramanian, "Design of Fuel-Additives Using Hybrid Neural Nets and Genetic Algorithms", In the Proceedings of the international conference on Foundations of Computer Aided Process Design, Snowmass, Colorado, July 99
7. A.Y. Coran, A.I. Leonov, and R. Ding, Rubber Chem. Technol., 69 (1996), 351.
8. S. Katare, P. Ghosh, and J.M. Caruthers, "Formation of Elastically Inactive Loops in Sulfur Vulcanization of Isoprene - A Conformational Analysis" (Paper presented at the AIChE Annual Meeting, Los Angeles, California, November 2000).
9. P. Ghosh et al., "A Kinetic Model for Accelerated Sulfur Vulcanization for Natural Rubber" (Paper presented at the American Chemical Society, Rubber Division Annual Meeting, Orlando, Florida, 22 September 1999), 7.
10. st Annual Meeting of the Society of Rheology, Urbana Champaign, Illinois, Oct 1999), 8.
11. J.A. Dumesic et al., The Microkinetics of Heterogeneous Catalysis, (Washington DC: American Chemical Society, 1993).
12. D. Wolf et.al., "An Evolutionary Approach in the Combinatorial Selection and Optimization of Catalytic Materials", App. Catal. A: General, 200 (2000), 63-77.
13. C.M. Snively, G. Oskarsdottir, and J. Lauterbach, "Chemically Sensitive High Throughput Parallel Analysis of Solid Phase Supported Library Members", J. Comb. Chem., 2 (3) (2000), 243-245.
14. L.F. Razon and R.A. Schmitz, "Intrinsically Unstable Behavior during the Oxidation of Carbon Monoxide on Platinum", Catal. Rev. - Sci. Eng., 28 (1) (1986), 89-164.
15. T. Zambelli et al., "Complex Pathways in Dissociative Adsorption of Oxygen on Platinum", Nature, 390 (1997), 495-497.
16. N.W. Cant, P.C. Hicks, and B.S. Lennon, "Steady State Oxidation of Carbon Monoxide over Supported Nobel Metals with Particular Reference to Platinum", J. Catal., 54 (1978), 372-383.
17. Michel Boudart, and G. Djega-Mariadassou, Kinetics of Heterogeneous Catalytic Reactions (Princeton, NJ: Princeton University Press, 1984).
18. G.W. Coulston and G.L. Hailer, "Kinetics and Mechanism of Carbon Monoxide Oxidation on Platinum, Palladium and Rhodium Foils", ed. D.J. Dwyer and F.M. Hoffman, Surface Science of Catalysis: In situ Probes and Reaction Kinetics, Vol. 482 (Washington, D.C.: American Chemical Society, 1992), 59-70.