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Ph.D., Chemical Eng., Northwestern University, Evanston, IL
M.Sc., Chemical Eng., University of Puerto Rico, Mayagüez
B.Sc., Chemical Eng., University of Puerto Rico, Mayagüez
Research and Academic Interests
- The objective of my research is to develop a better understanding of chemical reaction pathways by combining molecular modeling techniques, such as ab initio calculations and transition state theory, with kinetic modeling. The major focus of my research is on the analysis of novel environmentally benign catalytic processes.
- Kinetics and Catalysis, Computational Modeling, Environmental Chemical Engineering
Current Courses (Winter 2008)
- INQU 4017 – Chemical Engineering Kinetics and Catalysis
- INQU 4027 – Chemical Engineering Undergraduate Seminar
Current Research Topics
DFT analysis of metal-based catalysts used in CO2 sequestration
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Dr. María C. Curet-Arana
Assistant Professor
Office:IQ-207-B
Tel: 787-832-4040
Exts. 2569 (Office)
Fax: 787-265-3818
Send E-mail
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Selected Publications
- G. Emberger, M.C. Curet-Arana, R.W. Gurney, S.T. Nguyen, L.J. Broadbelt and R.Q. Snurr. “Microkinetic Analysis of the Epoxidation of Styrene Catalyzed by Mn-porphyrins and Molecular Squares”, in preparation.
- M.C. Curet-Arana, R.Q. Snurr and L.J. Broadbelt, “Quantum Chemical Analysis of the Reaction Pathway for Styrene Epoxidation Catalyzed by Mn-Porphyrins” in Mechanisms in Homogeneous and Heterogeneous Epoxidation Catalysis, edited by S.T. Oyama, Elsevier, Amsterdam, 2008.
- M.C. Curet-Arana, G.E. Emberger, L.J. Broadbelt and R.Q. Snurr. “Quantum Chemical Determination of Stable Intermediates for Alkene Epoxidation with Mn-Porphyrin Catalysts”, Journal of Molecular Catalysis A: Chemical, 2008, 285, 120-127.
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