Nathalia M. Simon

Applications of Brazilian pine-fruit shell in natural and carbonized forms as adsorbents to removal of methylene blue from aqueous solutions-Kinetic and equilibrium study

The Brazilian pine-fruit shell (Araucaria angustifolia) is a food residue, which was used in natural and carbonized forms, as low-cost adsorbents for the removal of methylene blue (MB) from aqueous solutions. Chemical treatment of Brazilian pine-fruit shell (PW), with sulfuric acid produced a non-activated carbonaceous material (C-PW). Both PW and C-PW were tested as low-cost adsorbents for the removal of MB from aqueous effluents. It was observed that C-PW leaded to a remarkable increase in the specific surface area, average porous volume, and average porous diameter of the adsorbent when compared to PW. The effects of shaking time, adsorbent dosage and pH on adsorption capacity were studied. In basic pH region (pH 8.5) the adsorption of MB was favorable. The contact time required to obtain the equilibrium was 6 and 4h at 25 degrees C, using PW and C-PW as adsorbents, respectively. Based on error function values (F(error)) the kinetic data were better fitted to fractionary-order kinetic model when compared to pseudo-first order, pseudo-second order, and chemisorption kinetic models. The equilibrium data were fitted to Langmuir, Freundlich, Sips and Redlich-Peterson isotherm models. For MB dye the equilibrium data were better fitted to the Sips isotherm model using PW and C-PW as adsorbents.

Application of Brazilian pine-fruit shell as a biosorbent to removal of reactive red 194 textile dye from aqueous solution kinetics and equilibrium study.

The Brazilian pine-fruit shell (Araucaria angustifolia) is a food residue, that was used as biosorbent for the removal of non-hydrolyzed reactive red 194 (NRR) and hydrolyzed reactive red 194 (HRR) forms from aqueous solutions. Chemical treatment of Brazilian pine-fruit shell (PW), with chromium (Cr-PW), with acid (A-PW), and with acid followed by chromium (Cr-A-PW) were also tested as alternative biosorbents for the removal of NRR and HRR from aqueous effluents. It was observed that the treatment of the Brazilian pine-fruit shell with chromium (Cr-PW and Cr-A-PW) leaded to a remarkable increase in the specific surface area and average porous volume of these biosorbents when compared to unmodified Brazilian pine-fruit shell (PW). The effects of shaking time, biosorbent dosage and pH on biosorption capacity were studied. In acidic pH region (pH 2.0) the biosorption of NRR and HRR were favorable. The contact time required to obtain the equilibrium was 24h at 25 degrees C. The equilibrium data were fitted to Langmuir, Freundlich, Sips and Redlich-Peterson isotherm models. For NRR reactive dye the equilibrium data were best fitted to the Sips isotherm model using PW and A-PW as biosorbents, and Redlich-Peterson isotherm model using Cr-PW and Cr-A-PW as biosorbents. For HRR reactive dye the equilibrium data were best fitted to the Sips isotherm model using PW, A-PW and Cr-A-PW and the Redlich-Peterson isotherm model for Cr-PW as biosorbent.

Insights on recyclable catalytic system composed of task-specific ionic liquids for the chemical fixation of carbon dioxide

A series of imidazolium-based ionic liquids (ILs) were synthesised and used as single component and metal-free homogeneous catalysts to convert a renewable, inexpensive and non-toxic CO2 feedstock into useful products. The cycloaddition of carbon dioxide to epoxides to produce cyclic carbonate was evaluated. A detailed investigation was carried out on a variety of factors that affected the reactivity and selectivity, such as the catalyst structures (nature of cation and anion). The effect of reaction parameters (temperature, reaction time, CO2 uptake and catalyst amount) on the catalytic performance was also investigated in detail. High conversions and selectivities could be achieved under mild pressure condition (5 bar) using 1-n-butyl-3-methylimidazolium bromide. A synergetic effect of the acidic and basic sites as well as suitable hydrogen-bonding strength is considered crucial for the reaction to proceed smoothly. This protocol was found to be applicable to a disubstituted epoxide. Furthermore, the straightforward synthesis of cyclic carbonates by direct oxidative carboxylation from olefins was achieved using only 1-n-butyl-3-methylimidazolium bromide as a catalyst.

The Formation of Imidazolium Salt Intimate (Contact) Ion Pairs in Solution

1-n-Butyl-2,3-dimethylimidazolium (BMMI) ionic liquids (ILs) associated with different anions undergo H/D exchange preferentially at 2-Me group of the imidazolium in deuterated solvents. This process is mainly related to the existence of ion pairs rather than the anion basicity. The H/D exchange occurs in solvents (CDCl3 and MeCN for instance) in which intimate contact ion pairs are present and the anion possesses a labile H in its structure, such as hydrogen carbonate and prolinate. In D2 O, separated ion pairs are formed and the H/D exchange does not occur. A plausible catalytic cycle is that the IL behaves as a neutral base in the course of all H/D exchange processes. NMR experiments, density functional calculations, and molecular dynamics simulations corroborate these hypotheses.

Planejamento estatístico de experimentos como uma ferramenta para otimização das condições de biossorção de Cu(II) em batelada utilizando-se casca de nozes pecã como biossorvente

In order to reduce the total number of experiments for achieving the highest amount of adsorbed Cu2+ (qmax) using pecan nutshells (Carya illinoensis) as biosorbent, a full 24 factorial design with two central points was carried out (mass of biosorbent- m, pH, initial metallic ion concentration- C0, time of contact- t). In order to continue the optimization of the system, a central composite surface analysis design with two factors and five central points was carried out. The maximum amount of Cu2+ taken up by the pecan nutshells was 20 mg g-1. These results were confirmed by determining a Cu2+ isotherm using the best conditions attained by the statistical design of experiments.

A water soluble 3-n-propyl-1-azonia-4-azabicyclo[2.2.2]octanechloride silsesquioxane grafted onto Al/SiO2 surface: chromium adsorption study

The water soluble material, 3-n-propyl-1-azonia-4-azabicyclo(2.2.2)octanechloride silsesquioxane (dabcosil silsesquioxane) was obtained. The dabcosil silsesquioxane was grafted onto a silica surface, previously modified with aluminum oxide. The resulting solid, dabcosil-Al/SiO 2 , pres- ents 0.15 mmol of dabco groups per gram of material. The product of the grafting reaction was ana- lyzed by infrared spectroscopy and N 2 adsorption-desorption isotherms. The dabcosil-Al/SiO 2 materi- al was used as sorbent for chromium (VI) adsorption in aqueous solution.

Cation−Anion−CO2 Interactions in Imidazolium-Based Ionic Liquid Sorbents

A series of functionalized N-alkylimidazolium based ionic liquids (ImILs) were designed, through anion (carboxylates and halogenated) and cation (N-alkyl side chains) structural modifications, and studied as potential sorbents for CO2 . The sorption capacities of as prepared bare ImILs could be enhanced from 0.20 to 0.60 molar fraction by variation of cation-anion-CO2 and IL-CO2 -water interaction. By combining NMR spectroscopy with molecular dynamics simulations, a good description of interactions between ImIL and CO2 can be obtained. Three types of CO2 sorption modes have been evidenced depending on the structure of the ImIL ion pair: Physisorption, formation of bicarbonate, and covalent interaction through the nucleophilic addition of CO2 to the cation or anion. The highest CO2 sorption capacity was observed with the ImIL containing the 1-n-butyl-3-methylimidazolium cation associated with the carboxylate anions (succinate and malonate). This study provides helpful clues for better understanding the structure-activity relationship of this class of materials and the ion pair influence on CO2 capture.