Sandro Marmitt

RESEARCH, TEACHING, or OTHER INTERESTS

Chemistry, Physical and Theoretical Chemistry, Electrochemistry

Scopus Publications

A DFT study on the insertion of CO<inf>2</inf> into styrene oxide catalyzed by 1-butyl-3-methyl-Imidazolium bromide ionic liquid
Sandro Marmitt and Paulo F. B. Gonçalves
Wiley
Green systems able to capture or fix CO2 are becoming more important specially to reduce environmental impacts. In this work, the mechanism of insertion of CO2 into styrene oxide (STYO) both in the absence and presence of the catalyst 1‐butyl‐3‐methyl‐imidazolium bromide (BMIm Br) was investigated through calculations based on density functional theory in the ωB97X‐D level. Two different routes were considered and it was shown they are energetically available and compete against each other. For both routes, the rate‐determinant step is the ring opening of STYO resulting from the nucleophilic attack of the Br− on the C atom from STYO and is associated mainly to the participation of the cation and the anion from the catalyst in the reaction. Reactive indices and noncovalent interaction analysis were used as a tool to investigate this reason. This work allowed a better comprehension of the underlying mechanism and the supplied data provide valuable support for the design of new more efficient ionic liquid catalyst. © 2015 Wiley Periodicals, Inc.


Insights on recyclable catalytic system composed of task-specific ionic liquids for the chemical fixation of carbon dioxide
Anne-Lise Girard, Nathália Simon, Marcileia Zanatta, Sandro Marmitt, Paulo Gonçalves, and Jairton Dupont
Royal Society of Chemistry (RSC)
Several imidazolium ionic liquids display high efficiency as catalysts for the sequential oxidation of alkene and carboxylation of epoxide.


Photolysis and UV/H<inf>2</inf>O<inf>2</inf> treatment of a synthetic effluent containing food dyes
Sandro Marmitt, Lilian V. Pirotta, and Simone Stülp
FapUNIFESP (SciELO)
Food industries employ a lot of synthetic dyes in their products. Most of these dyes are very stable face to the conventional treatments. This work studied the use of advanced oxidation process (AOP) as an alternative to the conventional ones to degrade a synthetic food effluent (photolysis and UV/H2O2 in continuous reactor). The more efficient process was the UV/H2O2 and it presented decoloration and degradation energetic efficiency values equal to 30.775 kWh m-3 and 269.909 kWh m-3, respectively. The color reduction was 96.4% and COD decrease was 38.56%.


Amaranth food dye photochemical and photoelectrochemical degradation: Experiments and mathematical modelling




Assessment of red dye degradation through photochemical process
Cristiano Pochmann da Silva, Sandro Marmitt, Claus Haetinger, and Simone Stülp
FapUNIFESP (SciELO)
Neste trabalho foi realizado o estudo da degradação fotoquímica do corante vermelho bordeaux. O estudo objetivou a avaliação de tratamentos alternativos com vistas à aplicação de tecnologias limpas. Os experimentos de fotodegradação foram realizados através da incidência de radiação UV em um compartimento contendo o corante (solução). O tratamento fotoquímico reduziu em 99% a coloração e a concentração da solução contendo o corante vermelho bordeaux.