MIT Home

Erik Santiso

Ph.D., Chemical Engineering
North Carolina State University, Raleigh, NC, USA (2007)

M.Sc., Chemical Engineering
Universidad Simón Bolívar, Caracas, Venezuela (1999)

B.S., Chemical Engineering
Universidad Simón Bolívar, Caracas, Venezuela (1995)

Current Research:

My research involves the development of methods to study complex order/disorder and order/order transitions in molecular systems, including nucleation and polymorph transformations in molecular crystals. I am also interested in the development of metaheuristic methods to sample chemical spaces.

Publications:

  • E.E. Santiso, L. Huang, K.E. Gubbins, M.K. Kostov, A.M. George, M. Buongiorno Nardelli, "Ab Initio Simulations of Chemical Reactions in Nanostructured Carbon Materials", in Quantum Chemical Calculations of Surfaces and Interfaces of Materials, V.A. Basiuk, P. Ugliengo (Eds.), American Scientific Publishers, Valencia, CA (2010).

  • E.E. Santiso, B.L. Trout, "A General Set of Order Parameters for Molecular Crystals", J. Chem. Phys., submitted (2010).

  • S. Paul, E.E. Santiso, M. Buongiorno Nardelli, "Sequestration and Selective Oxidation of Carbon Monoxide on Graphene Edges", J. Phys. Cond. Matt. 21, 355008 (2009).

  • L. Huang, E.E. Santiso, M. Buongiorno Nardelli, K.E Gubbins, "Catalytic Role of Carbons in the Methane Decomposition for CO and CO2-Free Hydrogen Generation", J. Chem. Phys. 128, 214702 (2008).

  • E.E. Santiso, M. Buongiorno Nardelli, K.E. Gubbins, "Isomerization Kinetics of Small Hydrocarbons in Confinement", Adsorption 14, 181 (2008).

  • E.E. Santiso, M. Buongiorno Nardelli, K.E. Gubbins, "A RemarkableShape-Catalytic Effect of Confinement on the Rotational Isomerization of Small Hydrocarbons", J. Chem. Phys. 128, 034704 (2008).

  • A. Jayaraman*, E.E. Santiso*, C.K. Hall, J. Genzer, "Theoretical Study of Kinetics of Zipping in Biomimetic Polymers", Phys. Rev. E. 76, 011915 (2007) (also Virtual J. of Biological Physics, August 1, 2007).

  • E.E. Santiso, M.K. Kostov, A.M. George, M. Buongiorno Nardelli, K.E. Gubbins, "Confinement Effects on Chemical Reactions - Toward an Integrated Rational Catalyst Design", Appl. Surf. Sci. 253, 5570 (2006).

  • E.E. Santiso, M. Buongiorno Nardelli, K.E. Gubbins, "Effect of Confinement by Porous Carbons on the Unimolecular Decomposition of Formaldehyde", J. Chem. Phys., 125, 084711 (2006).

  • H. Hoteit, E. Santiso, A. Firoozabadi, "An Efficient and Robust Algorithm for the Calculation of Gas-Liquid Critical Point of Multicomponent Petroleum Fluids", Fluid Phase Equilib., 241, 186 (2006).

  • E. Santiso, A. Firoozabadi, "Curvature Dependency of Surface Tension in Multicomponent Systems", AICHE J. 52, 311 (2006).

  • E.E. Santiso, A.M. George, C.H. Turner, M.K. Kostov, K.E. Gubbins, M. Buongiorno Nardelli, M. Sliwinska-Bartkowiak, "Adsorption and Catalysis: The Effect of Confinement on Chemical Reactions", Appl. Surf. Sci. 252, 766 (2005).

  • E.E. Santiso, A.M. George, M. Sliwinska-Bartkowiak, M. Buongiorno-Nardelli, K.E. Gubbins, "Effect of Confinement on Chemical Reactions", Adsorption 11, 349 (2005).

  • M. Sliwinska-Bartkowiak, F.R. Hung, E.E. Santiso, B. Coasne, G. Dudziak, F.R. Siperstein, K.E. Gubbins, "Effect of Confinement on Freezing of CCl4 in Cylindrical Pores", Adsorption 11, 391 (2005).

  • M.K. Kostov*, E.E. Santiso*, A.M. George, K.E. Gubbins, M. Buongiorno-Nardelli, "Dissociation of Water on Defective Carbon Substrates", Phys. Rev. Lett. 95, 136105 (2005).

  • F.R. Hung, B. Coasne, E.E. Santiso, K.E. Gubbins, F.R. Siperstein, M. Sliwinska-Bartkowiak, "Molecular Modeling of Freezing of Simple Fluids Confined Within Carbon Nanotubes", J. Chem. Phys. 122, 144706 (2005).

  • E.E. Santiso, K.E. Gubbins, "Multi-Scale Molecular Modeling of Chemical Reactivity", Mol. Simul. 30, 699 (2004).

  • B. Coasne, K.E. Gubbins, F. Hung, E. Santiso, M. Sliwinska-Bartkowiak, "Phase Transitions and Chemical Reactions at the Nano-Scale: Effects of Confinement", Abstr. Paper Am. Chem. Soc. 227, U1206 (2004).

  • E. Santiso, E.A. Müller, "Dense Packing of Binary and Polydisperse Hard Spheres", Mol. Phys. 100, 2461 (2002).

  • L. Iturralde, E. Santiso, F. Morales, "Mass Transfer Coefficients for the Adsorption of Pollutants from Aqueous Effluents Using a Pore Diffusion Model", in: Chemical Industry and Environment II, v. 1, N. Piccinini and R. Delorenzo (Eds.), Politecnico di Torino, Torino, Italy (1996), p. 95

*Equal contribution

Contact Info:

Address:
Department of Chemical Engineering
Massachusetts Institute of Technology
77 Massachusetts Ave., Room E19-528
Cambridge, MA 02141

Phone: (617) 253-6675
Fax: (617) 253-2272
Email: esantiso (at) mit.edu