InQu

María C. Curet-Arana, Ph.D.

   

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

Arturo Hernandez

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

 

 

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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