Professor Maija Kukla

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About Dr. Bavornpon Jansang

E-mail: bjansang@umd.edu

BavornponEducation

Research Interests/Overview:

Professional Experience:

Publications:

  1. Stepan S.; Andrikopoulos, P. C.; Boekfa, B.; Jansang, B.; Novakova, J.; Benco, L.; Bucko, T.; Hafner, J.; Dedecek, J.; Sobalik, S. N2O decomposition over Fe-zeolites: Structure of the active sites and the origin of the distinct reactivity of Fe-ferrierite, Fe-ZSM-5, and Fe-beta. A combined periodic DFT and multispectral study, Journal of Catalysis 2010, 272, 262.
  2. Sklenak, S.; Sobalik, Z.; Tvaruzkova, Z.; Jansang, B.; Li., C.; Gao, F.; Boekfa, B.; Benco, L.; Bucko, T.; Hafner, J. N2O decomposition on iron exchanged ferrierite: A combined periodic DFT and static in-situ FTIR study. Studies in Surface Science and Catalysis 2008, 174, 713-716.
  3. Sklenak, S.; Dedecek, J.; Li., C.; Gao, F.; Jansang, B.; Sauer, J. Local geometry of AlO4- and SiO4 tetrahedra in the silicone rich chabazite: A combined high resolution NMR and QM/MM study. Studies in Surface Science and Catalysis 2008, 174, 729-732.
  4. Sklenak, S.; Dedecek, J.; Li., C.; Gao, F.; Jansang, B.; Boekfa, B.; Wichterlova, B.; Sauer, J. Aluminum siting in the ZSM-22 and Theta-1 zeolites revisited: A QM/MM study. Collection of Czechoslovak Chemical Communications 2008, 73, 909-920.
  5. Jansang, B.; Nanok, T.; Limtrakul, J. Structures and reaction mechanisms of alkylation of phenol with methanol over nanostructured H-FAU zeolite: An ONIOM study. Journal of Physical Chemistry C 2008, 112, 540-547.
  6. Jansang, B.; Nanok, T.; Limtrakul, J. Interaction of mordenite with an aromatic hydrocarbon: An embedded ONIOM study. Journal of Molecular Catalysis A: Chemical 2007, 264, 33-39.
  7. Jansang, B.; Nanok, T.; Limtrakul, J. Structures and reaction mechanisms of cumene formation via benzene alkylation with propylene in a newly synthesized ITQ-24 zeolite: An embedded ONIOM study. Journal of Physical Chemistry B 2006, 110, 12626-12631.
  8. Jansang, B.; Limtrakul, J. Adsorption of benzene on MCM-41-type material: A QM/MM study. Studies in Surface Science and Catalysis 2005, 156, 625-630.
  9. Rungsirisakun, R.; Jansang, B.; Pantu, P.; Limtrakul, J. The adsorption of benzene on industrially important nanostructured catalysts (H-BEA, H-ZSM-5, and H-FAU): confinement effects. Journal of Molecular Structure 2005, 733, 239-246.

Proceedings:

  1. Tran, T. T.; Poulsen, S. L.; Jansang, B.; ; Herfort, D.; Jakobsen, H. J. Skibsted, J. Characterization of guest-ion incorporation and site preferences in alite and belite in Portland cement by MAS NMR experiments and Density Functional Theory calculations. Proceeding of 30th Cement and Concrete Science Conference, 2010, 93-96.
  2. Jansang, B.; Nonat, A.; Skibsted, J. Modelling of guest-ion incorporation in the anhydrous calcium silicate phases of Portland cement by periodic Density Functional Theory calculations. Proceeding of Conmod 2010, EPFL, Switzerland, 2010, 25-28.
  3. Jansang, B.; Nanok, T.; Limtrakul, J. Quantum chemical investigation of methoxybenzene transformation to ortho-, meta- and para-methylphenols over acidic faujasite zeolite: a mechanistic study. Preprint Paper of American Chemical Society in Division of Petroleum Chemistry 2008, 53(2), 34-37.
  4. Jansang, B.; Nanok, T.; Limtrakul, J. Structures and reaction mechanisms of cumene formation via benzene alkylation with propylene over ITQ-24 zeolite: Combined QM/MM and full quantum methods. Preprint Paper of American Chemical Society in Division of Petroleum Chemistry 2006, 51(1), 261-264.

Presentations:

  1. Tran, T. T.; Poulsen, S. L.; Jansang, B.; ; Herfort, D.; Jakobsen, H. J. Skibsted, J., "Characterization of guest-ion incorporation and site preferences in alite and belite in Portland cement by MAS NMR experiments and Density Functional Theory calculations" 30th Cement and Concrete Science Conference, September 13 - 15, 2010, Birmingham, United Kingdom. (Oral presentation)
  2. Sklenak, S.; Andrikopoulos, P. C., Boekfa, B., Jansang, B.; Novakova, J.; Dedecek, J.; Sobalik Z., "N2O decomposition over Fe-ferrierite, Fe-ZSM-5, and Fe-beta: Explanation of the distinct reactivity. A combined periodic DFT and multispectral study" 16th International Zeolite Conference joint with the 7th International Mesostructured Materials Symposium, July 4-9, 2010, Sorrento, Italy (Poster presentation)
  3. Jansang, B.; Nonat, A.; Skibsted, J., "Modelling of guest-ion incorporation in alite and belite and the hydroxylation of their surfaces by periodic density functional theory calculations" 13th International Congress on the Chemistry of Cement, July 3 - 8, 2011, Madrid, Spain (abstract submitted).
  4. Jansang, B.; Nonat, A.; Skibsted, J. "Modeling of guest-ions incorporation in the principal anhydrous phases of Portland cements by periodic Density Functional Theory calculation" CONMOD' 10 Symposium on concrete modeling, L'Aula Des CÚdres, Lausanne, Switzerland, June 22-25, 2010. (Oral presentation)
  5. Jansang, B.; Nonat, A.; Skibsted, J. "Modeling of guest-ion incorporation in the principal phases of anhydrous Portland cement" 18th Nanocem Fall meeting, Hotel Park Inn, Zurich - Airport, Zurich, Switzerland, October 27-29, 2009. (Oral Presentation).
  6. Jansang, B.; Nanok, T.; Limtrakul, J. "Quantum chemical investigation of methoxybenzene transformation to ortho-, meta- and para-methylphenols over acidic faujasite zeolite: a mechanistic study", the 236th ACS National Meeting, Philadelphia, PA, United States, August 17-21, 2008. (Oral Presentation)
  7. Sklenak, S.; Sobalik, Z.; Tvruzkova, Z.; Jansang, B.; Jisa, K.; Li, C.; Gao, F.; Boekfa, B.; Benco, L.; Bucko, T.; Hafner, J. "A combined periodic DFT and static in-situ FTIR study of N2O decomposition on iron exchanged Ferrierite", the 14th International Congress on Catalysis, Seoul, Korea, July, 13-18, 2008. (Poster Presentation)
  8. Sklenak, S.; Dedecek, J.; Li, C.; Gao, F.; Jansang, B.; Sauer, J. "Local geometry of AlO4- and SiO4 tetrahedra in the silicon rich chabazite. A combined high resolution NMR and QM/MM study", the 14th International Congress on Catalysis, Seoul, Korea, July, 13-18, 2008. (Poster Presentation)
  9. Jansang, B.; Nanok, T.; Limtrakul, J. "Alkylation of phenol with methanol over nanostructured materials: A QM/MM study", the 1st Thailand National Nanotechnology Conference on Nanomaterials, Pharmaceutical, Devices and Applications, Central Duangtawan Hotel, Chiang Mai, Thailand, August, 14-16, 2007. (Oral Presentation)
  10. Jansang, B.; Nanok, T.; Limtrakul, J. "Alkylation of phenol with methanol over nanostructured materials: A QM/MM study", the 1st National Graduate Research Conference, 1-2 Aug, 2007 Bangkok University. Rangsit Campus. (Poster Presentation)
  11. Jansang, B.; Khongpracha, P.; Limtrakul, J. "Effect of amine substituted ITQ-24 zeolite on the protonation of alkene: A QM/MM study", the 32rd Congress in Science and Technology of Thailand, Queen Sirikit National Convention Center, Bangkok, Thailand. October 10-12, 2006. (Poster Presentation)
  12. Jansang, B.; Nanok, T.; Limtrakul, J. "Structures and reaction mechanisms of cumene formation via benzene alkylation with propylene over ITQ-24 zeolite: Combined QM/MM and full quantum methods", the 231st ACS National Meeting, Atlanta, GA, United States, March 26-30, 2006. (Oral Presentation)
  13. Jansang, B.; Limtrakul, J. "Adsorption of benzene on a new three-dimension zeolite (ITQ-24) investigated by E-ONIOM", the 31st Congress in Science and Technology of Thailand, Suranaree University, Korat, Thailand. October 18-20, 2005. (Oral Presentation)
  14. Jansang, B.; Limtrakul, J. "Adsorption of benzene on MCM-41-type material: A QM/MM Study", Nanoporous Material-IV, Niagara Falls, Ontario, Canada, June 7-10, 2005. (Oral Presentation)
  15. Jansang, B.; Limtrakul, J. "Adsorption of benzene on MCM-41-type material: A QM/MM Study", the 229th ACS National Meeting, San Diego, CA, United States, March 13-17, 2005. (Poster Presentation)
  16. Jansang, B.; Rungsirisakun, R.; Pantu, P.; Limtrakul, J. "The adsorption of benzene on industrially important nanostructured catalysts (H-BEA, H-ZSM-5, and H-FAU): confinement effects", the 227th ACS National Meeting, Anaheim, CA, United States, March 28-April 1, 2004. (Poster Presentation)
  17. Jansang, B.; Limtrakul, J. "Adsorption of benzene on MCM-41-type material: A QM/MM Study", the 30th Congress on Science and Technology of Thailand, Muangtong Thani, Bangkok, Thailand, October 19 - 21, 2004. (Poster Presentation)
  18. Jansang, B.; Limtrakul, J. "The Preferential location of Br°nsted acid site in beta zeolite: A QM/MM study", the 29th Congress on Science and Technology of Thailand, Khonkhaen, Thailand, 2003. (Poster Presentation)