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Open Chemistry
|
2011
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vol. 9
|
issue 6
1080-1095
EN
Polydimethylsiloxane nanoparticles were obtained by nanoprecipitation, using a siloxane surfactant as stabilizer. Two neural networks and a genetic algorithm were used to optimize this process, by minimizing the particle diameter and the polydispersity, finding in this way the optimum values for surfactant and polymer concentrations, and storage temperature. In order to improve the performance of the non-dominated sorting genetic algorithm, NSGA-II, a genetic operator was introduced in this study - the transposition operator - “real jumping genes”, resulting NSGA-II-RJG. It was implemented in original software and was applied to the multi-objective optimization of the polymeric nanoparticles synthesis with silicone surfactants. The multi-objective function of the algorithm included two fitness functions. One fitness function was calculated with a neural network modelling the variation of the particle diameter on the surfactant concentration, polymer concentration, and storage temperature, and the other was computed by a neural network modelling the dependence of polydispersity index on surfactant and polymer concentrations. The performance of the software program that implemented NSGA-II-RJG was highlighted by comparing it with the software implementation of NSGA-II. The results obtained from simulations showed that NSGA-II-RJG is able to find non-dominated solutions with a greater diversity and a faster convergence time than NSGA-II. [...]
EN
An optimization methodology based on neural networks and genetic algorithms was developed and used to optimize a real world process - an electro-coagulation process involving three pollutants at different concentrations: kaolin (250–1000 mg L−1), Eriochrome Black T solutions (50–200 mg L−1), and oil/water emulsion (1500–4500 mg L−1). Feed-forward neural networks using heterogeneous combination of transfer functions were developed, leading to good results in the validation stage (relative error about 8%). The parameters of the process (concentration of pollutant, time, pH0, conductivity and current density) were optimized handling the genetic algorithm parameters, in order to obtain a maximum removal efficiency for each pollutant. Therefore, the optimization methodology combines neural networks as modeling tools with genetic algorithms as solving method. Validation of the optimization results using supplementary experimental data reveals errors under 11%. [...]
EN
In the present study, jamun seed waste has been explored for the removal of Pb(II) ions from aqueous solution. The multi-variant sorption optimization was achieved by the factorial design approach. 99.91% of Pb(II) ions was removed from aqueous solution. The results predicted by the model were in good agreement with the experimental results (the values of R2 and R2adj. were found to be 99.89% and 99.95%, respectively). Langmuir and D-R isotherm studies were carried out to find adsorbent’s capacities (183.9 ± 0.31 mg/g and 184.5 ± 0.16 mg/g respectively), sorption free energy 13.17 ± 0.16 and RL values in the range of 0.05-0.77, suggested the favorable chemical and/or ion exchange nature of the sorption process. The FT-IR study was carried out for unloaded and Pb(II) ions loaded jamun seed, indicated, Pb(II) ions associated with nitrogen and oxygen of jamun seed containing moieties during the adsorption process. The proposed method was successfully validated and applied for the treatment of Pb(II) ions contaminating drinking water.
Open Chemistry
|
2010
|
vol. 8
|
issue 5
1069-1077
EN
The nanocatalyst-assisted sonodegradation of Basic Blue 41 (BB41) dye in aqueous medium was modeled and optimized using response surface method (RSM) based on Box-Behnken design. The studied variables included pH, initial dye concentration, H2O2 concentration and sonolysis time while each factor varied at three levels: Low level (−1), Medium level (0) and High level (+1). The ultrasound -assisted degradation was well described by developing quadratic model with correlation value squared (R2) of 0.9114. Factor effects along with interaction effects were evaluated. The graphical optimization step was conducted to achieve the best experimental condition in dye removal. pH, H2O2 concentration and initial dye concentration of the reaction were investigated. It was recognized that at lower pH values the dye removal rate decreased. However, dye removal rate increased (82.5%) by increasing the concentration of H2O2 and by lowering the initial dye concentration. [...]
EN
Abstract In this investigation a waste biological material, soybean meal, was applied as a biosorbent for heavy metal ions (CrIII). The diffusive Webber-Morris model and the pseudo-II-order model suitably described the kinetics of CrIII ions binding on soybean meal. The Langmuir-Freundlich equation was valid for the description of the isotherm. Inductively coupled plasma optical emission spectroscopy (ICP-OES), FTIR and scanning electron microscopy with an energy dispersive X-ray analytical system (SEM-EDX) were used in order to identify the mechanism of the metal ions binding. The analysis of the composition of the enriched soybean meal confirmed the contribution of ion exchange in the biosorption process. Three-variable-three-level Box-Behnken design was used to determine the optimal conditions for biosorption of CrIII on soybean meal. The optimal conditions for predicted maximum Cr3+ uptake (61.07 mg g−1) by soybean meal were estimated by Matlab and established as temperature of 38.04°C, initial metal concentration 500 mg L−1 and biosorbent dosage 1 g L−1. Graphical abstract [...]
EN
A simple and fast chemical method was used for synthesis of manganese tungstate nanoplates in flower-like clusters; while Taguchi robust design was employed as statistical method for optimization of the experimental parameters for the procedure. Ultrafine manganese tungstate plates in flower-like clusters were synthesized via a direct precipitation method involving addition of manganese ion solution to the aqueous tungstate reagent. Effects of various reaction conditions such as manganese and tungstate concentrations, flow rate of reagent addition and reactor temperature on the thickness of the synthesized manganese tungstate plates were investigated experimentally. Analysis of variance (ANOVA) showed that manganese tungstate nanoplates could be effectively synthesized by tuning significant parameters of precipitation procedure. Meanwhile, optimum conditions for synthesis of MnWO4 nanoplates via this simple, fast, and cost effective method were proposed. The structure and composition of the prepared nanoplates under optimum conditions were characterized by EDX, X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), FT-IR spectroscopy, and photoluminescence techniques. [...]
EN
Starmerella bombicola a teleomorph of Candida bombicola is capable of producing extracellular secondary metabolites known as sophorolipids. In the present work the performance of Starmerella in producing sophorolipids, with standard medium ingredients glucose, sunflower oil, yeast extract and urea was studied. The quantities of different medium ingredients were optimized to maximize the production of sophorolipids. Variation in tensiometric properties like surface tension and interfacial tension during the incubation period were also reported. The optimized mixed substrate composition was found to be 200 g/l, containing equal amounts of glucose and sunflower oil, 4 g/l of yeast extract and 0.6 g/l of urea. With the optimized substrate composition 38.6 g/l of sophorolipids was obtained. The minimum surface tension produced by the culture free cell broth was 36.2 mN/m. Increasing the temperature from 25°C to 35°C has shown adverse effects on sophorolipids production.
EN
This study aims to explore the efficiency of an agro waste material for the remediation of Pb(II) contaminated water. A factorial design approach is adopted to optimize removal efficiency and to study the interaction between effective variables. A face-centered Draper-Lin composite design predicted 100% removal efficiency at optimum variables; pH 8, initial concentration of Pb(II) ion 12mg/L, sorbent dose 200mg and agitation time 110 min. Regration coefficient (R2 = 99.9%) of a plot of the predicted versus the observed values and p value (>0.05) confirms the applicability of the predicted model. Langmuir and Dubinin-Radushkevich (D-R) isotherm models were applicable to sorption data with the Langmuir sorption capacity of 21.61±0.78 mg/g. The energy of sorption was found to be 13.62±0.32 kJ/mol expected for ion-exchange or chemisorption nature of sorption process. Characterization of Grewia seed suggested a possible contribution of carboxyl and hydroxyl groups in the process of biosorption. The present study shows that Grewia seeds can be used effectively for the remediation of Pb(II) contaminated water.
EN
Novel Calix[4]arene Netwok (NCN) resin has been synthesized using Amberlite XAD-2 as the starting material. Hydroxyl groups have been introduced onto the para position of alkylated phenyl ring of Amberlite XAD-2 followed by the condensation to NCN by reacting it with formaldehyde. The NCN resin has been used for the remediation of Cr(VI) contaminated water using factorial design approach. A face-centered Draper-Lin composite design predicted ~100% removal effi ciency at optimum variables (the initial concentration of Cr(VI) ion 10 mg/l sorbent dose 200 mg, agitation time 136 min and pH 2). The accuracy and the fi tting of the model were evaluated by ANOVA and R2 (0.9992) values. The 99.5% removal effi ciency has been achieved experimentally at the optimum values of the variables. The Langmuir and D-R isotherm models were applicable to the sorption data with the value of RL and the sorption free energy 0.0057-0.1 and 7.93 kJ/mol respectively, suggesting favorable and physical/ion-exchange nature of the sorption. The calculated sorption capacity was 176.1±2.4 mg/g. The recycling studies of NCN resin showed that the multiple use of resin is feasible. Effect of concomitants has also been studies and proposed method was applied successfully for removal (98.7%) of Cr (VI) from electroplating wastewater.
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