Mario Blanco, PhD

PSDC Director
Materials and Process Simulation Center
California Institute of Technology
Mail Code BI 139-74
Pasadena, CA 91125 USA
Write to me by clicking here.
Map of Caltech

The following are recent research projects by Dr. Blanco

Flow Control Nanovalve .
Electronic Nose Abstract .
The Electronic Nose .
de novo Chemical Engineering.
An Advanced Chemistry Basin Model for Petroleum Exploration .
Barite Scale Project SEM .
December 2001 LAMMPS Documentation .
LAMMPS Documentation .
accesses since Feb. 20, 1996.

Dr. Mario Blanco joined the MSC in November, 1993 after 10 years experience in the chemical industry. Dr. Blanco is the Director of the Process Simulation and Design Collaboration (PSDC) of the Materials and Process Simulations Center in the Beckman Institute at Caltech.

Dr. Blanco's research interests include:

1. new theoretical methods in molecular mechanics, molecular dynamics, and statistical mechanics,
2. their applications to molecular interactions in condensed media, and
3. the transfer of these technologies to industrial scientists and engineers for applications to problems in materials, specialty chemicals, drugs, environmental chemistry, and process simulations.

EDUCATION:

Ph.D., Chemistry, University of California, Los Angeles (1983)

Thesis Advisor: Professor Eric J. Heller
current Director of Atomic Physics at Harvard University.

Thesis Title: "Molecular Bound States from Quantum Mechanical Projection Operators"

PROFESSIONAL EXPERIENCE:

1993 - present

Director Process Simulation and Design Collaboration, MSC/BI, Caltech, Pasadena, CA

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At Caltech: Senior Manager of the Materials and Process Simulation Center. Established and managed a number of multi-year contracts with industry (3M, Avery Dennison, Kellogg, Exxon, Owens Corning, Chevron, Dow Chemical, Saudi Aramco, Hercules). Hired and trained postdoctoral fellows to conduct industrially sponsored research. Collaborated with Industrial Scientist in solving key technological problems in product development areas from new materials, to catalyst development, to invention of novel processes. Collaborated in multiple publications and patent applications. These programs promoted applied scientific research, trained industrial scientist, prepared workshops and annual scientific meetings at Caltech. Over 20 years experience in the application and management of Industrial collaborations including partnership with General Electric (Polymers), 3M (Stain Protectors), Owens Corning (E-glass), General Motors (Fuel Cells), Avery Dennison (Pressure Sensitive Adhesives), Kellogg's (Corn Syrups), Chevron-Texaco (Corrosion, Scale, Wear Inhibitors), Exxon-Mobil (Gasoline Reforming Catalysts) and Saudi Aramco (emulsions and asphaltenes). Principal investigator in US government funded projects by the National Science Foundation (NSF, nanotechnology), the Environmental Protection Agency (EPA, pollution prevention), the Department of Defense (DoE, electronic nose) and the Department of Energy (DoE, oil basin modeling and oil migration indicators).

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1990 - 1993

Senior Scientist, Product Manager,Biosym/MSI, Sunnyvale, CA

1984 - 1990

Senior Scientist, Computer Applications Research, Rohm and Haas Company
at Spring House and at Bristol, PA

HONORS:

PROFESSIONAL SOCIETIES:

American Chemical Society

American Academy of Nanomedicine (Founding Member)

UCLA Alumni Association

PUBLICATIONS

1. Wu, Y. F. et al. Synergistic effect of alkyl polyglucoside and sorbitan mixtures on lowering interfacial tension and enhancing oil recovery. Abstracts of Papers of the American Chemical Society 227, U238-U238 (2004).

2. Tong, C. H., Blanco, M., Goddard, W. A. & Seinfeld, J. H. Thermodynamic properties of multifunctional oxygenates in atmospheric aerosols from quantum mechanics and molecular dynamics: Dicarboxylic acids. Environmental Science & Technology 38, 3941-3949 (2004).

3. Solares, S. D., Blanco, M. & Goddard, W. A. Design of a nanomechanical fluid control valve based on functionalized silicon cantilevers: coupling molecular mechanics with classical engineering design. Nanotechnology 15, 1405-1415 (2004).

4. Jang, S. S. et al. Molecular dynamics study of a surfactant-mediated decane-water interface: Effect of molecular architecture of alkyl benzene sulfonate. Journal of Physical Chemistry B 108, 12130-12140 (2004).

5. Jacob, T., Blanco, M. & Goddard, W. A. A new alligator-clip compound for molecular electronics. Chemical Physics Letters 390, 352-357 (2004).

6. Iglauer, S. et al. Influence of alcohol co-surfactants on the interfacial tensions of alkylglycoside surfactant formulations vs. N-octane. Abstracts of Papers of the American Chemical Society 227, U238-U238 (2004).

7. Belmares, M. et al. Hildebrand and Hansen solubility parameters from molecular dynamics with applications to electronic nose polymer sensors. Journal of Computational Chemistry 25, 1814-1826 (2004).

8. Solares, S., Blanco, M. & Goddard, W. A. Design of a nanomechanical fluid control valve based on functionalized silicon cantilevers: Coupling molecular mechanics and classical engineering design. Abstracts of Papers of the American Chemical Society 225, U748-U748 (2003).

9. Lin, S. T., Blanco, M. & Goddard, W. A. The two-phase model for calculating thermodynamic properties of liquids from molecular dynamics: Validation for the phase diagram of Lennard-Jones fluids. Journal of Chemical Physics 119, 11792-11805 (2003).

10. Lin, S. T., Blanco, M. & Goddard, W. A. Two-phase thermodynamic method for accurate free energies for liquids directly from molecular dynamics simulations. Abstracts of Papers of the American Chemical Society 226, U459-U459 (2003).

11. Jang, S. S., Blanco, M., Goddard, W. A., Caldwell, G. & Ross, R. B. The source of helicity in perfluorinated N-alkanes. Macromolecules 36, 5331-5341 (2003).

12. Deng, W. Q., Xu, X., Muller, R., Blanco, M. & Goddard, W. A. Computational simulation at molecular electronic and molecular electromechanical system. Abstracts of Papers of the American Chemical Society 225, U708-U709 (2003).

13. Jang, Y. H. et al. The MSXX force field for the barium sulfate-water interface. Journal of Physical Chemistry B 106, 9951-9966 (2002).

14. Faglioni, F., Blanco, M., Goddard, W. A. & Saunders, D. Heterogeneous inhibition of homogeneous reactions: Karstedt catalyzed hydrosilylation. Journal of Physical Chemistry B 106, 1714-1721 (2002).

15. Hwang, S., Blanco, M. & Goddard, W. A. Atomistic simulations of corrosion inhibitors adsorbed on calcite surfaces I. Force field parameters for calcite. Journal of Physical Chemistry B 105, 10746-10752 (2001).

16. Hwang, S., Blanco, M., Demiralp, E., Cagin, T. & Goddard, W. A. The MS-Q force field for clay minerals: Application to oil production. Journal of Physical Chemistry B 105, 4122-4127 (2001).

17. Goddard, W. A. et al. Strategies for multiscale modeling and simulation of organic materials: polymers and biopolymers. Computational and Theoretical Polymer Science 11, 329-343 (2001).

18. Blanco, M. & Goddard, W. A. First-principles estimation of chi-parameters for assembly of block copolymer nano-composites. Abstracts of Papers of the American Chemical Society 222, U364-U364 (2001).

19. Goddard, W. A. et al. Tutorial: Case studies in the use of density functional theory for transition metal systems, with an emphasis on heterogeneous and homogeneous catalysis, metal alloys, and transition metal oxides. Abstracts of Papers of the American Chemical Society 220, U462-U462 (2000).

20. Goddard, W. A. et al. Investigations of heterogeneous and homogeneous transition metal catalysis using density functional theory. Abstracts of Papers of the American Chemical Society 220, U500-U500 (2000).

21. Goddard, W. A. et al. MSC/Caltech collaborations with industry on catalysts technologies. Abstracts of Papers of the American Chemical Society 219, U292-U293 (2000).

22. Goddard, W. A. et al. MSC/Caltech collaborations with industry on materials and polymer technologies. Abstracts of Papers of the American Chemical Society 219, U293-U293 (2000).

23. Goddard, W. A. et al. Modeling and simulation of materials for industrial applications. Abstracts of Papers of the American Chemical Society 220, U187-U187 (2000).

24. Goddard, W. A. et al. MSC/Caltech collaborations with industry on petroleum technologies. Abstracts of Papers of the American Chemical Society 219, U292-U292 (2000).

25. Blanco, M. & Goddard, W. A. Modeling the mammalian nose: Structural motif or mean field olfactory neuron responses? Abstracts of Papers of the American Chemical Society 219, U612-U612 (2000).

26. Jang, Y. H. et al. Mechanism and energetics for complexation of Y-90 with 1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetic acid (DOTA), a model for cancer radioimmunotherapy. Journal of the American Chemical Society 121, 6142-6151 (1999).

27. Goddard, W. A. et al. From atomistic simulations to engineering models. Abstracts of Papers of the American Chemical Society 217, U652-U653 (1999).

28. Ramachandran, S. et al. Atomistic simulations of oleic imidazolines bound to ferric clusters. Journal of Physical Chemistry A 101, 83-89 (1997).

29. Jiang, S. Y. et al. The SAM model for wear inhibitor performance of dithiophosphates on iron oxide. Journal of Physical Chemistry B 101, 7702-7709 (1997).

30. Ramachandran, S. et al. Self-assembled monolayer mechanism for corrosion inhibition of iron by imidazolines. Langmuir 12, 6419-6428 (1996).

31. Jiang, S. Y. et al. Structures, vibrations, and force fields of dithiophosphate wear inhibitors from ab initio quantum chemistry. Journal of Physical Chemistry 100, 15760-15769 (1996).

32. Goddard, W. A. et al. Simulation and Design of Materials - Applications to Polymers, Ceramics, Semiconductors, and Catalysis. Abstracts of Papers of the American Chemical Society 208, 391-PHYS (1994).

33. Blanco, M. Molecular Silverware .1. General-Solutions to Excluded Volume Constrained Problems. Journal of Computational Chemistry 12, 237-247 (1991).

34. Blanco, M., Brisbane, J. J. & Changmateu, M. Finite-Element Solutions to Chemical Industrial-Problems. Abstracts of Papers of the American Chemical Society 195, 33-CSEC (1988).

OTHER PUBLICATIONS:

Blanco, M., Tang, Y., Goddard,W.A. ; "Applications of Simulations to Upstream Petroleum Technologies", Technology Exchange Meeting, Dahran, Saudi Arabia, 1995

Diallo, M., Blanco, M., Goddard,W.A. ; "Oil/Water partitioning and De-emulsifier efficiency", Technology Exchange Meeting, Dahran, Saudi Arabia, 1995

Blanco, M.,Brisbane, J.J., Changmateu, M., Finite-element solutions to chemical industrial-problems Abstracts of Papers of the American Chemical Society, 195, JUN 33-CSEC, 1988

Tannor-DJ, Blanco-M, Heller-EJ, Simplification of the resonance fluorescence-spectrum by detuning from absorption features, Journal of Physical Chemistry,88,25,6240-6244,1984

Blanco-M, Heller-EJ, Angular-momentum projection operators and molecular bound-states Journal of Chemical Physics,78,5,2504-2517,1983

Blanco-M, Heller-EJ, The dynamical basis set, Journal of Chemical Physics, 83, 3, 1149-1161, 1985

PATENTS:
Blanco, M, Pierce, TH, Process for the Estimation of Physical and Chemical Properties of a Proposed Polymeric or Copolymeric Substance or Material, US Patent 5,260,882, 1993
Solares, S & Blanco, M; Design of a nanomechanical fluid control valve based on functionalized silicon cantilevers, US Provisional Patent Application No 60/400,020


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