Louisiana Tech Faculty Information Page


Daniela Mainardi, Ph.D.

Assistant Professor, Chemical Engineering/ Institute for Micromanufacturing

Degrees

Ph.D.-Chemical Engineering: University of South Carolina, Columbia SC (2003)
B.S.-Physics: University of Buenos Aires, Buenos Aires Argentina (1997)

Top Degrees Contact Info Areas of Specialization Research Publications

Contact Info

Office: IfM 121/ BH 228
Email: mainardi@latech.edu
Phone: (318) 257-5126/ 4714
Home Page: http://www.latech.edu/~mainardi

Top Degrees Contact Info Areas of Specialization Research Publications

Areas of Specialization

  • Molecular Modeling
  • Electrochemistry
  • Nanotechnology


Top Degrees Contact Info Areas of Specialization Research Publications

Research Areas/Interests

  • Research on biocompatibility, focusing on the interaction of water and polymers with hydrophilic characteristics, towards coating improvement for medical implants using Molecular Mechanics and Dynamics simulations
  • Study and development of Biosensors for environmental and biomedical high-priority applications using Density Functional Theory, Molecular Dynamics, and Molecular Mechanics simulations

·         Research on new power sources, such as bio-fuel cells, focusing on the problems of enzyme immobilization and efficiency enhancement using mainly Molecular Mechanics and Dynamics simulations

·         Study of small cluster properties of the components found in living organisms using Density Functional Theory

 


Top Degrees Contact Info Areas of Specialization Research Publications

Publications

·        Mainardi D. S., Jansen A. P. J., Lukkien J. J., and Balbuena P. B., “Test of a Mechanism for O2 Electroreduction on Pt (111) Via Dynamic Monte Carlo Simulations”, to be submitted to the Proceedings of the Electrochem. Soc.

·        Mainardi D. S., Calvo, S., Balbuena P. B., Jansen A. P. J., and Lukkien J. J., “Dynamic Monte Carlo Simulations of O2 Adsorption and Reaction on Pt (111)”, Chem. Phys. Lett. 382:(5-6) 553-560, (2003) PDF

·        Mainardi D. S and Balbuena P. B., “Hydrogen and Oxygen Adsorption on Rhn (n = 1 – 6) Clusters”, J. Phys. Chem. A. 107(48): 10370-10380 (2003)  PDF

·        Huang S. P, Mainardi D. S, and Balbuena P. B., “Structure and dynamics of graphite-supported bimetallic nanoclusters”, Surf. Sci. 545(3): 163-179 (2003)  PDF

·        Balbuena PB, Lamas EJ, Mainardi DS, De la Cruz C, Seminario JM, “Theoretical studies of carbon/Pt-X/O2 (X = Ni, Cr, Co) systems for electrocatailysis”, Abstracts of Papers of The American Chemical Society, 223: 320-COLL Part 1 APR 7 (2002)

·        Balbuena PB, Huang SP, Mainardi DS, “Physical properties of supported and unsupported transition metal nanoclusters”, Abstracts of Papers of The American Chemical Society, 223:068-FUEL Part 1 APR 7 (2002)

·         Mainardi D. S. and Balbuena P. B., “Surface Segregation in Bimetallic Nanoclusters: Geometric and Thermodynamic Effects”, Int. Journal of Quantum Chemistry  85:580-591, (2001) PDF

·        Mainardi D. S and Balbuena P. B., “Monte Carlo Simulation of Cu-Ni Nanoclusters: Surface Segregation Studies”, Langmiur, 17:2047-2050, (2001) PDF

 

Top Degrees Contact Info Areas of Specialization Research Publications

Louisiana Tech University
College of Engineering and Science