Andrei B. Ryjkov
(Andrew B. Ryzhkov)

Departments of Chemistry,
and Atmospheric and Oceanic Sciences
McGill University, 805 Sherbrooke St. West
Montréal, Quebéc, CANADA, H3A 2K6.

E-Mail: [email protected]
WWW: http://www.meteo.mcgill.ca/andrew/

Highlights

Over 10 years of experience in theoretical modeling of chemical systems and quantum chemical investigation of reaction mechanisms. Simulation of complex non-linear chemical reactions. Investigation of complex oscillation and chaos behaviour in chemical systems. Solving the inverse kinetic problems. Development of software to study these processes.

Education

Ph.D, Physical Chemistry, 2000
Institute of Organic Chemistry, Ufa Research Center, Russian Academy of Science
Thesis: ‘An investigation of complex dynamics of chemical systems by the methods of mathematical modeling’
Research advisors: Prof. V.D. Komissarov and Dr. A.D. Karavaev

MS, Physical Chemistry, 1996
Chemical Department of the Bashkir State University
Thesis: ‘Development and approbation of the program for solution of inverse kinetic problem’
Research advisors: Prof. R.L. Safiullin and Dr. R.N. Zaripov

Professional experience

2001-2005, Postdoctoral researcher
Departments of Atmospheric and Oceanic Sciences, McGill University
Supervisors: Prof. P.A. Ariya
Quantum chemical investigation of atmospheric reactions of carbonyl oxides with water and water clusters, aromatic compounds with chlorine atoms. Modeling of atmospheric reactions of mercury, sulfur oxidation in aerosols.

2000 - 2001, Research scientist
Laboratory of Computational Physical Chemistry, Ufa branch of the Ugansk Research and Planning Oil Institute of the YUKOS Oil Company
Laboratory Head: A.D. Karavaev
Developing the programs for calculation of relative phase permeability on the base of non-stationary experimental data and for calculation of sludging conditions in oil wells.

1999 – 2000, Lecturer
Ufa State Petroleum Technical University
Chair Head: Prof. T.G. Umergalin
Teach courses: "Numerical methods", "Basics of computing", "Pascal programming language".

1995, Research assistant
Laboratory Chemical Kinetics of the Institute of Organic Chemistry of Ufa Research Center of the Russian Academy of Science
Laboratory Head: Prof. V.D. Komissarov
Semiempirical theoretical study of self-reactions of diphenylcarbonyl oxides.

Research interest and experience

Quantum-chemical semiempirical, ab initio and density functional investigation of reaction potential energy surfaces, molecular clusters and intermediates, including reactions of carbonyl oxides and sulfur anion-radicals. Calculations of reaction energies, barriers, and rate constants.

Kinetic modeling of the complex chemical processes such as the radical-chain reactions. Development of modeling methods and their implementation as programs.

Development of programs for processing of experimental data from kinetic experiments (flash-photolysis, chemiluminescence) . Development of program for data acquisition from home-made instruments.

Inverse kinetic problem – theory and practice. Investigation of non-uniqueness of non-stationary inverse problem in chemical kinetics. Development of programs for solution of the inverse kinetic problem.

Skills

Packages for quantum-chemical calculations: GAMESS, Gaussian 94/98/03, MOLPRO, HyperChem, Jaguar, MOPAC, WinMopac, MOE.

Programs for processing of experimental data: Jandel SigmaPlot, Golden Software Grapher and Surfer.

Programming languages: C/C++, Fortran 77/90/95, Pascal, Python, x86 assembler, SVL, HTML, Perl.

Compilers and developer tools: Visual Studio, Borland Delphi, C++ Builder, GCC, PGI, Intel compilers, Waterloo Maple, Free Pascal.

Experience in computer data acquisition, 3D visualization (OpenGL), computer hardware, networks and Internet technologies.

Packages for analysis of non-linear reaction mechanisms: AUTO, LOCBIF.

Operating Systems: Windows (NT/2000/XP/2003, 95/98/Me), UNIX (Linux, FreeBSD, IRIX, AIX, Tru64), MS-DOS (3.30-6.20)

Office and desktop publishing software: MS Office, Corel Draw, Adobe Photoshop.

My Software

ViewMol3D: 3D OpenGL viewer for molecular structures from the output of quantum chemistry calculations. http://www.meteo.mcgill.ca/andrew/vm3/

BZPhase4D: program for modelling of the Belousov-Zhabotinsky reaction and building of 3D/4D phase portraits. http://www.meteo.mcgill.ca/andrew/BZPhase.htm

Kinetic Systems Solver: program for simulation of complex chemical reaction kinetics, including complex and stiff systems. http://www.meteo.mcgill.ca/andrew/kss/

Other programs: http://www.meteo.mcgill.ca/andrew/

Professional Society Affiliations

Fellow of the Canadian Chemical Society - since 2002
Fellow of the American Chemical Society - since 2003

References available upon request


 

Publications

15. A.B. Ryzhkov, H. Niki, G.W. Harris, F. Raofie, P.A. Ariya. "Kinetic, product, and theoretical studies of the Gas-Phase Reactions of Toluene and Benzene with Chlorine Atoms.", J. Phys. Chem. (2006), in preparation

14. A.B. Ryzhkov, P.A. Ariya. "The importance of water clusters (H2O)n (n = 2, … , 4) in the reaction of Criegee intermediate with water in the atmosphere", Chemical Physics Letters (2005), 419, 479-485

13. P.A. Ariya, A.P. Dastoor, M. Amyot, W.H. Schrieder, L. Barrie, K. Anlauf, F. Raofie, A. Ryzhkov, D. Davignon, J. Lalonde, A. Steffen. "The Arctic: a sink for mercury", Tellus B, Chemical and Physical Meteorology, 2004, 56 (5), 397-403

12. A. Ryzhkov, P.A. Ariya. "A theoretical study of the reactions of parent and substituted Criegee intermediates with water and the water dimer", Phys. Chem. Chem. Phys., 2004, 6 (21), 5042-5050

11. P.A. Ariya, A. Ryzhkov. "Atmospheric transformation of elemental mercury upon reactions with halogens", J. Phys. IV France (2003), 107, 57-59

10. A.B. Ryzhkov, P.A. Ariya. " A theoretical study of the reactions of carbonyl oxide with water in atmosphere: the role of water dimer.", Chemical Physics Letters (2003), 367(3,4), 423-429

9. M.M. Khasanov, A.B. Ryzhkov, A.D. Karavaev, R.K. Mukhamedshin, T.K. Urazakov. "The computer data processing of physical-hydrodynamic laboratory investigations of core", Vestnik Inzhiniringovogo Centra "YUKOS" (Bulletin of the Petrolium Engineering Centre of the YUKOS Oil company), 2002, 3, 37-42

8. M.M. Khasanov, A.B. Ryzhkov, A.D. Karavaev, R.K. Mukhamedshin, T.K. Urazakov. "The solution of a inverse problem of the determination of the relative phase permeability for non-stationary two-phase filtration in a complex model of oil pool", Bashkir Chemical Journal, 2001, 8 (3), 47-49.

7. A.B. Ryzhkov, A.D. Karavaev, V.P. Kazakov, "Birth and death of fractal tore in the Belousov - Zhabotinsky reaction model", Izvestiya VUZov: prikladnaya nelineinaya dinamika (Applied nonlinear dynamic), 2001, 9 (1), 89-100

6. R.M. Asadullin, A.B. Ryzhkov, "Reparameterisation of Models of Non-stationary Chemical Kinetics as a Method of Investigation of the Inverse Problem", Reaction Kinetics & Catalysis Letters, 1999, 66 (1), 79-83

5. R.M. Asadullin, A.B.Ryzhkov, "Numerical-Analytical Method for Investigation of Non-uniqueness of Non-Stationary Inverse Problem in Chemical Kinetics", Bashkir Chemical Journal, 1998, 5, 60-65

4. S.L. Khursan, A.B. Ryzhkov, A.M. Nazarov, “UHF/PM3 Modelling of Diphenylcarbonyl Oxide Bimolecular Decay Reaction”, Bashkir Chemical Journal, 1998, 5, 55-59

3. A.D. Karavaev, A.B. Ryzhkov, O.V. Noskov, V.P. Kazakov, “Generation of a Fractal Torus in the Belousov–Zhabotinskii Reaction Model”, Proceedings of the Russian Academy of Sciences, Physical Chemistry (Doklady Akademii Nauk) , 1998, 363 (1-3), 367.

2. A.B. Ryzhkov, O.V. Noskov, A.D. Karavaev, V.P. Kazakov, "Stationary points and bifurcations in Belousov-Zhabotinsky reaction", Matematicheskoe modelirovanie (Mathematical Modeling), 10 (2), 1998, 71-78

1. A.M. Nazarov, E.M. Chainikova, S.L. Khursan, A.B. Ryzhkov, R.L. Safiullin, V.D. Komissarov, "Kinetics of benzophenone oxide decay in the liquid phase", Russian Chemical Bulletin, 1998, 47 (7), 1292-1295

Conference presentations

22. A.B. Ryzhkov, P.A. Ariya, "A Theoretical Study of Criegee Intermediate Complexes with water Clusters and its Reactions in the Atmosphere", Fifth Annual CERMM Symposium, Concordia University, Montreal, Canada, February 11-13, 2005.

21. A.B. Ryzhkov, P.A. Ariya, "Theoretical study of atmospherically important complexes of Criegee intermediate with water clusters and its reactions", 228th ACS National Meeting, Philadelphia, PA, USA, August 22-26, 2004.

20. A.B. Ryzhkov, P.A. Ariya, "A Density functional study of complexes and reactions of benzene and toluene with chlorine atoms", Fourth Annual CERMM Symposium, Concordia University, Montreal, Canada, March 26-27, 2004.

19. A.B. Ryzhkov, P.A. Ariya, "Structure, stability, and reactions of complexes of Criegee intermediate with water H2COO-(H2O)n, n=1-3: density functional theory investigation", Annual APS Meeting, Montreal, Canada, March 22-26, 2004.

18. A.B. Ryzhkov, Bertrand J. Revenaz, P.A. Ariya, "Impact of the Alkenes Ozonolysis on Sulfur Oxidation in Sulfate Aerosols", 10th Annual MAM/GCC Workshop, Atmospheric Physics Group, Department of Physics, University of Toronto, Toronto, Canada, December 15-16, 2003.

17. A.B. Ryzhkov, Bertrand J. Revenaz, P.A. Ariya, "Atmospheric Impact of Alkene Ozonolysis on Sulfur Oxidation in Sulfate Aerosols", Symposium on Chemical Physics at the University of Waterloo, Waterloo, Canada, October 31 - November 2, 2003.

16. A.B. Ryzhkov, Bertrand J. Revenaz, P.A. Ariya, "Ozonolysis of alkenes - impacts on sulfur oxidation in sulfate aerosols during fall and winter", 226th ACS National Meeting, New-York, USA, September 7-11, 2003.

15. A.B. Ryzhkov, P.A. Ariya, "Atmospheric Reactions of Mono- and Dimethylsubstituted Criegee Intermediate with Water", The 39th IUPAC Congress and 86th Conference of The Canadian Society for Chemistry, Ottawa, Canada, August 10-15, 2003.

14. A.B. Ryzhkov, P.A. Ariya, "Theoretical Study of the Atmospheric Reactions of Carbonyl Oxide with Water, 225th ACS National Meeting", New Orleans, USA, March 23-27, 2003.

13. A.B. Ryzhkov, P.A. Ariya, "A Theoretical Investigation of the Reactions of Parent and Substituted Carbonyl Oxides with Water Under Near Atmospheric Conditions", Third Annual CERMM Symposium, Centre for Research in Molecular Modeling, Department of Chemistry and Biochemistry, Concordia University, Montreal, Canada, January 10-11, 2003.

12. A.B. Ryzhkov, P.A. Ariya, "A theoretical study of the reactions of carbonyl oxide with water in the atmosphere: the role of water dimer", 10th Annual MAM/GCC Workshop, Atmospheric Physics Group, Department of Physics, University of Toronto, Toronto, Canada, December 16-17, 2002.

11. A.B. Ryzhkov, H. Leighton and P.A. Ariya, "Theoretical Study of the Atmospheric Reactions of Carbonyl Oxide with Water", 85th Canadian Society for Chemistry (CSC) Conference and Exhibition, Vancouver, Canada, June 1-5, 2002.

10. A.B. Ryzhkov, P.A. Ariya and H. Leighton, "A Theoretical Study of the Atmospheric Reaction of Carbonyl Oxide with Water Vapor", Second Annual CERMM Symposium, Centre for Research in Molecular Modeling, Department of Chemistry and Biochemistry, Concordia University, Montreal, Canada, January 19, 2002.

9. S.G. Glebov, T.G. Umergalin, A.B. Ryzhkov, “Laboratory practice for students in chemical cybernetics”, Republican conference “Methods of teaching chemistry and chemical technology in universities”, Ufa, Russia, 1999, p. 57-59

8. A.B. Ryzhkov, “Model for thermochemical oscillations in sulfoxidation”, V International science conference “Computational methods in chemical-technology”, Ufa, Russia, June 21-22, 1999, p. 49-51

7. A.B. Ryzhkov, "Bifurcations of birth of the limiting cycle in eleven-stage model for Belousov-Zhabotinsky reaction", XII International science conference “Mathematical methods engineering and technologies”, Moscow, Russia, June 1-3, 1999, p. 8-9

6. A.B. Ryzhkov, A.D. Karavaev, V.P. Kazakov, "Bifurcation structure of the model of the Belousov-Zhabotinsky reaction", XII International science conference “Mathematical methods in engineering and technologies”, Moscow, Russia, June 1-3, 1999, p. 7-8

5. S.L. Khursan, A.B. Ryzhkov, A.M. Nazarov, "UHF/PM3 modelling of diphenylcarbonyl oxide decay reactions", International Fock School on Quantum and Computational Chemistry, Novgorod the Great, Russia, December 14-19, 1998

4. A.B. Ryzhkov, O.V. Noskov, A.D. Karavaev, V.P. Kazakov, "Investigation of base characteristics eleven-stage model of autooscillation reaction Belousov-Zhabotinsky", Conference on Pure and Applied Science “Biological and chemical science in research institutes and universities. Problems and solutions”, Birsk, Russia, June 19-20, 1998, p. 26-29

3. A.V. Antipin, R.M. Asadullin, A.B. Ryzhkov, "Numerical estimation of parameters for non-stationary chemical kinetics models in the case of non-uniqueness", Conference on Pure and Applied Science “Biological and chemical science in research institutes and universities. Problems and solutions”, Birsk, Russia, June 19-20, 1998, p. 11-14

2. S.L. Khursan, A.B. Ryzhkov, A.M. Nazarov, "Quantum chemical investigation of reaction mechanisms of carbonyl oxides", X International Conference on Chemistry of Organic and Organoelement Peroxides, Moscow, Russia, July 15-18, 1998, p. 111-113

1. A.B. Ryzhkov, O.V. Noskov, A.D. Karavaev, "Investigation of stationary points of the eight-parameter model of an autooscillation reaction". Interuniversity student conference on pure and applied science, Bashkir State University, Ufa, Russia, April 25, 1997, p. 5-7