Babak Minofar

Annotation

Aerosols play important rule in atmosphere and understanding their dynamics is very important. Interaction between atmospheric aerosols with species like ozone is crucial for atmospheric chemist. By molecular dynamics (MD) simulations we are studying some reactions which take place in the surface of aerosols. Molecular dynamics is a good tool for studying air water interface which we focused on it. The aim of work is that how presence of ion at the air water interface can influence the reactions which take place at the interface.

Supervisor

Doc. P. Jungwirth

State of study

sucessfully finished – PhD.

Exams

• Státní doktorská zkouška, 2006
• Aplikovana kvantova chemie – Doc. P. Nachtigall
• Klasicka kvantova dynamika – Doc. P. Jungwirth

Publications

• Minofar, B.; Jungwirth, P.; Das, M. R.; Kunz, W.; Mahiuddin, S.: Propensity of Formate, Acatete, Benzoate, and Phenolate for the Aqueous Solution/Vapor Interface: Surface Tension Measurements and Molecular Dynamics Simulation, Journal of Physical Chemistry, 2007, 111, 8242.
• Minofar, B.; Vacha, R.; Wahab, A.; Mahiuddin, S.; Kunz, W.; Jungwirth, P.: Propensity for the air/water interface and ion pairing in magnesium acetate vs. magnesium nitrate solutions: Molecular dynamics simulations and surface tension measurements. Journal of Physical Chemistry B, 110 (2006) 15939
• Petrov, M.; Minofar, B.; Vrbka, L.; Jugwirth, P.; Koelsch, P.; Motschmann, H.: Aqueous ionic and complementary zwitterionic soluble surfactants: Molecular dynamics simulations and sum frequency generation spectroscopy of the surfaces. Langmuir, 22 (2006) 2498
• Wahab, A.; Mahiuddin, S.; Hefter, G.; Kunz, W.; Minofar, B.; Jungwirth, P.: Ultrasonic velocities, densities, viscosities, electrical conductivities, Raman spectra, and molecular dynamics simulations of aqueous solutions of Mg(OAc)₂ and Mg(NO₃)₂: Hofmeister effects and ion pair formation. Journal of Physical Chemistry B, 109 (2005) 24108
• Minofar, B.; Vrbka, L.; Mucha, M.; Jungwirth, P.; Yang, X.; Wang, X.-B.; Fu, Y.-J.; Wang, L.-S.: Interior and Interfacial Aqueous Solvation of Benzene Dicarboxylate Dianions and Their Methylated Analogues: A Combined Molecular Dynamics and Photoelectron Spectroscopy Study. Journal of Physical Chemistry A, 109 (2005) 5042
• Minofar, B.; Mucha, M.; Jungwirth, P.; Yang, X.; Fu, Y.-J.; Wang, X.-B.; Wang, L.-S.: Bulk vs. Interfacial Aqueous Solvation of Dicarboxylate Dianions. Journal of the American Chemical Society, 126 (2004) 11691.
• Vrbka, L.; Mucha, M.; Minofar, B.; Jungwirth, P.; Brown, E. C.; Tobias, D. J.: Propensity of Soft Ions for the Air/Water Interface. Current Oppinion in Interface and Colloid Science, 9 (2004) 67.
• Minofar, B.; Khosravi, M.; Bayat, I.: Adsorption of heavy metal ions on adsorbent material surface, Iranian Chemical Engineering conference, Tehran, Iran 1998.
• Minofar, B.; Khosravi, M.; Bayat, I.: Removal of heavy metal ions from aqueous solutions by rice bran, abstract submitted for poster presentation in CHEMRAWN XIV conference on green chemistry June 2001, USA.

Conferences

• Invited lectures in K. N. Toosi University of Techology, Tehran, Iran, August 1 – September 1 2007
• The Summer School “Physics and chemistry of the atmosphere: from laboratory experiments to field campaigns”, Jasi, Romania, 2–14 July 2006
• Dynamics at surfaces Gordon research conference, 14.–19. August, 2005, Proctor Academy, New Hampshire, USA, Minofar B., Vrbka L., Mucha M., Jungwirth P.; Solvation of dycarboxylate dianions in water clusters and at the air/water interface.
• EMSI Workshop on Ions and Molecules at Aqueous Interfaces; 25.-30. June 2005; Prague, Czech Republic; Minofar B., Vrbka L., Mucha M., Jungwirth P.; Surface propensity and clustering of aqueous organic anions

Contact

e-mail: babak (tečka) minofar (na) uochb (tečka) cas (tečka) cz