Computer simulation and synchrotron radiation in environmental chemistry and geochemistry.

Professors:

- Prof. Helio A. Duarte (Chairman, UFMG) .

- Prof. Gordon E. Brown (Stanford University).

- Prof. Per Persson (Lund University)

- Prof. Lars G.M. Pettersson (University of Stockholm)

- Prof. Virginia Ciminelli (UFMG)

- Dr. Douglas Galante (LNLS)

- Prof. Frederico Alves Lima (LNLS).

- Prof. Daniel Majuste (EE-UFMG)

- Dra Ana Claudia Q. Ladeira (CDTN)

- Prof. Jaime Mello (UFV)

Period: March 16-18, 2014.

Local: Auditorium II – Aloisio Pimenta, Department of Chemistry-ICEx, UFMG.

Language: English

Scope:

Prof. Gordon Brown (Stanford University), Per Persson (Lund University) and Lars G. M. Pettersson (University of Stockholm) will present lectures about the Environmental Chemistry and Geochemistry. Applications of synchrotron light based techniques and theoretical methods for investigating processes related to chemical speciation, mechanisms and rate of reactions in the inherently heterogeneous aquatic and terrestrial environments, anion and organic molecules interaction on mineral surfaces will be presented. Researchers from the National Laboratory of Synchrotron Light (LNLS) and INCT-ACQUA will give talks about their achievements related to the environment and geochemistry.

Support: INCT-ACQUA and Swedish Research Council.

Registration: Please, send a message to mirele.quimica@gmail.com with your name, e-mail and institution.

Preliminary Schedule:

Time	Lecture	Title
March 16
08:30 am	Opening: Hélio A. Duarte (UFMG)	Presentation of INCT-AQUA
08:45h – 10:15h	Lecture 1: Gordon Brown (Stanford University)	Interfaces in environmental chemistry/geochemistry
10:15h – 10:45h	Coffee Break
10:45h – 12:00h	Lecture 2: Douglas Galante (LNLS)	Synchrotron light techniques applied to biogeochemistry - The present and future of the LNLS
12:00h – 12:30h	Discussion
12:30h – 14:00h	Lunch
14:00h – 15:30h	Lecture 3: Gordon Brown (Stanford University)	Interactions between Naturally Occurring Organic Materials and Microbial Organisms and Metal Ions in Aquatic and Terrestrial Environments
15:30h – 16:00h	Coffee Break
16:00h – 16:45h	Talk 1: Jaime Mello (UFV)	Treatment of water containing As, U and Rare Earth Elements (REE) by precipitation of Al-Fe (hydr)oxides - perspectives for use of simulation and synchroton based techniques
16:45h – 17:30h	Talk 2: Ana Claudia Q. Ladeira (CDTN)	ACID MINE DRAINAGE: Concepts, Assessment and Case Study.
17:30h – 18:00h	Discussion
March 17
08:30h – 10:00h	Lecture 5: Gordon Brown (Stanford Univ.)	Geochemistry and environmental chemistry of mercury sulfides
10:00h – 10:30h	Coffee Break
10:30h – 12:00h	Lecture 6: Lars G.M. Pettersson (U. Stockholm)	Theoretical modeling of x-ray spectroscopies
12:00h – 12:30h	Discussion
12:30h – 14:00h	Lunch
14:00h – 15:30h	Lecture 7: Virginia Ciminelli (EE-UFMG)	Environmental Chemistry and Arsenic Wastes from Gold Mining in Minas Gerais - The INCT-ACQUA initiative.
15:30h – 16:00h	Coffee Break
16:00h – 16:45h	Talk 3 – Daniel Majuste (EE-UFMG)	Investigation of sulfide dissolution by in situ synchrotron XRD
16:45h – 17:30h	Talk 4 – Frederico Alves Lima (LNLS)	Combined XAS-DFT study on the FeMo cofactor of Nitrogenase: new insights into the electronic structure.
17:30h – 18:00h	Discussion
March 18
08:30h – 10:00h	Lecture 9: Lars G.M. Pettersson (U. Stockholm)	Experimental and theoretical investigation of heterogeneous catalysis using a free-electron x-ray laser
10:00h – 10:30h	Coffee Break
10:30h – 11:00h	Talk 5 – Guilherme F. de Lima (UNIFEI)	The reconstruction of Chalcopyrite’s  Surfaces
11:00h – 11:45h	Talk 6 – Rasmus Karlsson (Royal Institute of Technology)	Computational studies of electrocatalysis and spectroscopy
11:45h – 12:00h	Closing remarks.