Application of Orange Peel Waste as Adsorbent for Methylene Blue and Cd2+ Simultaneous Remediation.

Pollution by dyes and heavy metals is one of the main concerns at the environmental level due to their toxicity and inefficient elimination by traditional water treatment. Orange peel (OP) without any treatment was applied to effectively eliminate methylene blue (MB) and cadmium ions (Cd2+) in mono- and multicomponent systems. Although the single adsorption processes for MB and Cd2+ have been investigated, the effects and mechanisms of interactions among multicomponent systems are still unclear. Batch experiments showed that in monocomponent systems, the maximum adsorption capacities were 0.7824 mmol g-1 for MB and 0.2884 mmol g-1 for Cd2+, while in multicomponent systems (Cd2+ and MB), both contaminants competed for the adsorption sites on OP. Particularly, a synergic effect was observed since the adsorption capacity of Cd2+ increased compared to the monocomponent system. Results of desorption and adsorbent reuse confirmed that the adsorbent presents good regeneration performance. The low cost of this material and its capacity for the individual or simultaneous removal of Cd2+ and MB in aqueous solutions makes it a potential adsorbent for polluted water treatment processes.

Understanding mechanisms in the adsorption of lead and copper ions on chili seed waste in single and multicomponent systems: a combined experimental and computational study.

In the current work, a deep study to understand the adsorption phenomena occurring in single and multicomponent systems was conducted by using spectroscopic characterization, and computational tools. The experimental results showed that the adsorption capacity of chili seed is higher for Pb2+ (48 mg/g) than Cu2+ (4.1 mg/g) ions in single systems. However, the adsorption study in multicomponent systems provides important conclusions of the concentration effect of the metal ions, showing a significant antagonistic and competitive effect of both ions under equivalent concentrations of them (qPb2+ is 56% reduced) or high concentration of Pb2+ (qCu2+ is 50% reduced). Computational results correlated well with the experimental ones and evidenced all interactions proposed from spectroscopy results, accounting for the occurrence of complexation and electrostatic mechanisms between metal ions and the surface oxygenated functional groups (hydroxyl, carboxyl, and carboxylate) onto chili seed. Chemistry quantum descriptors supported the reactivity behavior of the chemical species implicated. All results evidenced that Pb2+ and Cu2+ adsorption on chili seed surface is governed by the occurrence of combined ionic exchange, π-interaction, complexation, and electrostatic attraction.

Adsorption of Nitrate and Bicarbonate on Fe-(Hydr)oxide.

In this work, we used density functional theory calculations to study the resulting complexes of adsorption and of inner- and outer-sphere adsorption-like of bicarbonate and nitrate over Fe-(hydr)oxide surfaces using acidic, neutral, and basic simulated pH conditions. High-spin states that follow the 5N + 1 (N is the number of Fe atoms, each having five unpaired electrons) rule are preferred. Monodentate mononuclear (MM1) surface complexes are shown to lead to the most favorable thermodynamic adsorption for both bicarbonate and nitrate with -63.91 and -28.25 kJ/mol, respectively, under neutral conditions. Our results suggest that four types of regular and charged-assisted hydrogen bonds are involved in the adsorption process; all of them can be classified as closed-shell (long-range or ionic). The formal charges induce unusually short and strong hydrogen bonds. The ability of high multiplicity states of Fe clusters to adsorb oxyanions in solvated environments arises from orbital interactions: the 4s virtual orbitals in Fe have a large affinity for the 2p-type electron pairs of oxygens.

NiMo-sulfide supported on activated carbon to produce renewable diesel / NiMo-sulfuro soportado en carbón activado para producir diesel renovable / NiMo-sulfeto suportado em carvão ativado para produzir diesel renovável

Resumen Gracias a su débil polaridad y gran área superficial, los soportes de carbón activado tienen el potencial de aumentar la dispersión de los sulfuros metálicos. La ausencia de una interacción fuerte metal-soporte puede conducir a la formación de una fase Ni-Mo-S muy activa y estable. En este estudio se prepararon catalizadores por el método de co-impregnación, con diferentes cantidades de níquel y molibdeno y soportados sobre carbón activado comercial, y se caracterizaron por técnicas BET, XRF y SEM. Se evaluó su actividad catalítica para el hidroprocesamiento de aceite de Jatropha utilizando un reactor por lotes, y se determinó la composición de los productos líquidos y gaseosos. Los resultados mostraron que los productos gaseosos están compuestos principalmente de grandes cantidades de propano y pequeñas cantidades de otros hidrocarburos livianos (C1 a C5). Los hidrocarburos líquidos fueron principalmente una mezcla de n-parafinas de C15-C18 y de algunos compuestos oxigenados. Los catalizadores presentaron una fracción de masa de 3 % Ni, 15 % Mo (Ni3Mo15/AC) y mayor selectividad hacia hidrocarburos C17-C18, con una distribución de productos similar al catalizador Ni-Mo-S soportado en alúmina comercial.

Abstract Due to their weak polarity and large surface area, activated carbon supports have the potential to enhance the dispersion of metal-sulfides. It is expected that the absence of a strong metal-support interaction can result in the formation of a very active and stable Ni-Mo-S phase. In this study, catalysts with different amounts of nickel and molybdenum supported on a commercial activated carbon were prepared by a co-impregnation method and characterized by BET, XRF, and SEM techniques. The catalytic activity for hydroprocessing of Jatropha oil was evaluated in a batch reactor, and the composition of the liquid and gaseous products were determined. Results showed that gaseous products are mainly composed of high amounts of propane and small amounts of other light hydrocarbons (C1 to C5). Liquid hydrocarbon products consisted of a mixture containing mainly n-paraffins of C15-C18 and some oxygenated compounds. The catalysts with a mass fraction of 3 % Ni, 15 % Mo (Ni3Mo15/AC) presented the highest selectivity toward C17-C18 hydrocarbons, with a product distribution similar to a commercial alumina-supported Ni-Mo-S catalyst.

Resumo Devido a sua baixa polaridade e amplia área superficial, os suportes de carvão ativado possuem o potencial de aumentar a dispersão de sulfetos metálicos. A ausência de uma forte interação suporte-metal pode levar a formação de uma fase Ni-Mo-S muito ativa e estável. Neste estudo, foram preparados catalizadores com diferentes teores de níquel e molibdênio suportados em carvão ativado comercial por um método de co-impregnação e caracterizados pelas técnicas BET, XRF e SEM. A atividade catalítica foi avaliada para o hidroprocessamento do óleo de Jatropha em um reator por lotes, e se determinou a composição dos produtos líquidos e gasosos. Os resultados mostraram que os produtos gasosos são compostos principalmente por altos teores de propano e pequenos teores de outros hidrocarbonos leves (C1-C5). Os hidrocarbonos líquidos consistiram de uma mistura contendo principalmente n-parafinas de C15-C18 e alguns compostos oxigenados. Os catalizadores apresentaram uma fração de massa de 3 % Ni, 15 % Mo (Ni3Mo15/AC) e uma maior seletividade em relação aos hidrocarbonos C17-C18, com uma distribuição de produtos similar ao catalizador comercial Ni-Mo-S suportado em alumina.

Selective removal of phosphate from wastewater using hydrated metal oxides dispersed within anionic exchange media.

Hydrated ferric oxide (HFeO), hydrated zirconium oxide (HZrO) and hydrated copper oxide (HCuO) were immobilized within a microporous anion exchange resin (IRA-400), forming hybrid media for enhanced phosphate removal from aqueous systems. Empirical data from batch kinetic trials fitted the pseudo second order mechanism for chemical adsorption and each media was rate limited by intraparticle diffusion overall. These models were also used to predict the adsorption rate constants and the equilibrium adsorption capacities, which ranged from 26.51 to 30.44 mgP g(-1), and from 24.15 to 27.90 mgP g(-1) of media for the calculated and experimental capacities, respectively. The phosphate adsorption behavior by the hybrid materials fit both the Langmuir and Freundlich adsorption isotherms (R(2)>0.94), and the maximum adsorption capacities were 111.1 mgP g(-1) for HFeO, 91.74 mgP g(-1) for HZrO and 74.07 mgP g(-1) for HCuO. The effect of competing ions such as sulfate reduced these capacities to 18.52 mgP g(-1) for HFeO and 18.97 mgP g(-1) for HZrO. Despite this decrease, HFeO was capable of reducing the phosphate in a real wastewater matrix by 83%, and the HZrO media was able to reduce it by 86%, suggesting that such hybrid media have the potential for application at full scale.

Supercritical water gasification of sewage sludge: gas production and phosphorus recovery.

In this study, the feasibility of the gasification of dewatered sewage sludge in supercritical water (SCW) for energy recovery combined with P-recovery from the solid residue generated in this process was investigated. SCWG temperature (400°C, 500°C, 600°C) and residence time (15min, 30min, 60min) were varied to investigate their effects on gas production and the P recovery by acid leaching. The results show that the dry gas composition for this uncatalyzed gasification of sewage sludge in SCW mainly comprised of CO2, CO, CH4, H2, and some C2-C3 compounds. Higher temperatures and longer residence times favored the production of H2 and CH4. After SCWG, more than 95% of the P could be recovered from the solid residue by leaching with acids. SCWG combined with acid leaching seems an effective method for both energy recovery and high P recovery from sewage sludge.

Topological analysis of tetraphosphorus oxides (P4O 6+n (n = 0-4)).

Quantum chemical calculations were used to analyze the chemical bonding and the reactivity of phosphorus oxides (P4O6+n (n = 0-4)). The chemical bonding was studied using topological analysis such as atoms in molecules (AIM), electron localization function (ELF), and the reactivity using the Fukui function. A classification of the P-O bonds formed in all structures was done according to the coordination number in each P and O atoms. It was found that there are five P-O bond types and these are distributed among the five phosphorus oxides structures. Results showed that there is good agreement among the evaluated properties (length, bond order, density at the critical point, and disynaptic population) and each P-O bond type. It was found that regardless of the structure in which a P-O bond type is present the topological and geometric properties do not have a significant variation. The topological parameters electron density and Laplacian of electron density show excellent linear correlation with the average length of P-O bond in each bond type for each structure. From the Fukui function analysis it was possible to predict that from P4O6 until P4O8 the most reactive regions are basins over the P.