Search Results - "Chiaro, Sandra S.X."

Removal of Sulfur and Nitrogen Compounds from Diesel Oil by Adsorption Using Clays as Adsorbents by Baia, Luana V, Souza, Wallace C, de Souza, Ricardo J. F, Veloso, Cláudia O, Chiaro, Sandra S. X, Figueiredo, Marco Antonio G

“…Stringent specifications for sulfur compounds content and the need to use oils with large amount of nitrogen compounds are challenges for fuel producers…”
Get full text

Direct comparison among the formation of terephthalate- and carbonate-intercalated Mg-Al-LDH: The influence of the high aluminum content by Nangoi, Inna M., Faro, Arnaldo C., Souza, Wladmir F., Chiaro, Sandra S.X., Leitão, Alexandre A.

“…First principles calculations based on Density Functional Theory (DFT) were used to investigate the standard thermodynamic potentials and also structural and…”
Get full text

DFT simulations of dissociative chemisorption of sulfur-, nitrogen- and oxygen-containing molecules on mixed oxides with Mg, Al and Zn by Fonseca, Carla G., Silva, Bruna Nádia N., Haddad, Juliana F.S., Lima, Larissa L., Moraes, Pedro Ivo R., Vaiss, Viviane S., Antunes, Florence P.N., Souza, Wladmir F., Chiaro, Sandra S.X., Leitão, Alexandre A.

“…In order to discuss the impact of the metal dopants insertion on the reactivity and catalytic activity of the MgO(001) surface in some important reaction…”
Get full text

Theoretical studies of the interaction of terephthalate anion in MgAl-layered double hydroxides by Nangoi, Inna M., Vaiss, Viviane S., Souza, Wladmir F., Chiaro, Sandra S.X., Leitão, Alexandre A.

“…We used first principles calculations based on Density-Functional Theory to investigate the structural and electronic properties of Mg–Al-TA (TA=terephthalate…”
Get full text

Copper-exchanged Y zeolites for gasoline deep-desulfurization by Cerutti, Myriam L. M. Navarro, Hackbarth, Fabíola V., Maass, Danielle, Chiaro, Sandra S. X., Pinto, Ricardo R. C., Cardoso, Mauri J. B., Arroyo, Pedro A., Ulson de Souza, Antonio A., de Souza, Selene M. A. G. U.

“…Adsorptive desulfurization is one of the most efficient methods to remove recalcitrant sulfur compounds from transportation fuels. Two π-complexation-based…”
Get full text

Influence of the Chemical Composition of Silica–Alumina Adsorbents in Sulfur and Nitrogen Compounds Removal from Hydrotreated Diesel by Silva, Joana M. P. F, Silveira, Erika B, Costa, André L. H, Veloso, Cláudia O, Henriques, Cristiane A, Zotin, Fatima M. Z, Paredes, Marcio L. L, Reis, Rodrigo A, Chiaro, Sandra S. X

“…The removal of sulfur and nitrogen compounds from oil derivatives is fundamental to fulfill the new environmental laws. Traditionally, this removal is carried…”
Get full text

Carboxylic acid removal from model petroleum fractions by a commercial clay adsorbent by Silva, Juliana P., Costa, André L.H., Chiaro, Sandra S.X., Delgado, Bernadete E.P.C., de Figueiredo, Marco A.G., Senna, Lilian F.

“…This work investigates the use of a commercial clay adsorbent for removing carboxylic acids from model petroleum fractions. The main objective is to emulate…”
Get full text

Silica–alumina impregnated with cerium, nickel, and molybdenum oxides for adsorption of sulfur and nitrogen compounds from diesel by Santos, Aaron L., Reis, Rodrigo A., Rossa, Vinicius, Reis, Marcelo M., Costa, André L.H., Veloso, Cláudia O., Henriques, Cristiane A., Zotin, Fátima M.Z., Paredes, Márcio L.L., Silveira, Erika B., Chiaro, Sandra S.X.

“…In this work, samples of commercial silica–alumina in its calcined form and impregnated with cerium, nickel, and molybdenum oxides were evaluated as adsorbent…”
Get full text

Experimental and theoretical study of deactivated HDT catalysts by Si species deposited on their surfaces: Models proposition, structural and thermodynamic analysis by Vaiss, Viviane S., Fonseca, Carla G., Antunes, Florence P.N., Chinelatto Jr, Luiz S., Chiaro, Sandra S.X., Souza, Wladmir F., Leitão, Alexandre A.

“…[Display omitted] •Study combining 29Si and 13C CP/MAS NMR experiments and DFT calculations.•It has been investigated the poisoning process of HTD catalysts by…”
Get full text

The role of Zn2+ dopants in the acid-basic catalysis on MgO(001) surface: Ab initio simulations of the dissociative chemisorption of R-O-R′ and R-S-R′ (R, R′=H, CH3, C2H5) by Fonseca, Carla G., Tavares, Sérgio R., Soares, Carla V., daFonseca, Bruno G., Henrique, Fábio J.F.S., Vaiss, Viviane S., Souza, Wladmir F., Chiaro, Sandra S.X., Diniz, Renata, Leitão, Alexandre A.

“…Ab initio calculations were performed to study the effect of the Zn2+ dopant on the reactivity and the catalytic activity of the MgO(001) surface toward…”
Get full text

The role of Zn 2+ dopants in the acid-basic catalysis on MgO(001) surface: Ab initio simulations of the dissociative chemisorption of R-O-R′ and R-S-R′ (R, R ′ = H , CH 3 , C 2 H 5 ) by Fonseca, Carla G., Tavares, Sérgio R., Soares, Carla V., daFonseca, Bruno G., Henrique, Fábio J.F.S., Vaiss, Viviane S., Souza, Wladmir F., Chiaro, Sandra S.X., Diniz, Renata, Leitão, Alexandre A.

Get full text

On the Extraction of Aromatic Compounds from Hydrocarbons by Imidazolium Ionic Liquids by Cassol, Cláudia C., Umpierre, Alexandre P., Ebeling, Günter, Ferrera, Bauer, Chiaro, Sandra S. X., Dupont, Jairton

“…The liquid-liquid equilibrium for the ternary system formed by n-octane andaromatic (alkylbenzenes) and heteroaromatic compounds (nitrogen and sulfur…”
Get full text

Vacancy formation in MoS2 supported on MgO: Electronic and energetic analysis by Novais Antunes, Florence P., S. Vaiss, Viviane, Tavares, Sérgio R., Chiaro, Sandra S.X., Souza, Wladmir F., Leitão, Alexandre A.

“…[Display omitted] •A model of the sulfides supported perpendicularly to the MgO surface was proposed.•The energetic stability was obtained for CUS formation in…”
Get full text

17O MAS NMR and first principles calculations of ZrO2 polymorphs by Pimentel, Helio R.X., Aguiar, Daniel L.M., San Gil, Rosane A.S., Souza, Eugenio F., Ferreira, Ary R., Leitão, Alexandre A., Alencastro, Ricardo B., Menezes, Sônia M.C., Chiaro, Sandra S.X.

“…[Display omitted] ► 17O NMR parameters of the m-ZrO2 and t-ZrO2 phases were calculated by DFT. ► The chemical shifts of the polymorphs agree with the…”
Get full text

Comparação estrutural entre amostras de materiais tipo hidrotalcita obtidas a partir de diferentes rotas de síntese by Chagas, Luciano H., Farias, Stephane B. P. de, Leitão, Alexandre A., Diniz, Renata, Chiaro, Sandra S. X., Speziali, Nivaldo L., Abreu, Heitor A. de, Mussel, Wagner N.

Get full text