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1.
Phys Chem Chem Phys ; 18(19): 13310-21, 2016 05 11.
Artigo em Inglês | MEDLINE | ID: mdl-27119755

RESUMO

The aim of this work is the study of the predictive ability of a hybrid model of support vector regression with genetic algorithm optimization (GA-SVR) for the adsorption of malachite green (MG) onto multi-walled carbon nanotubes (MWCNTs). Various factors were investigated by central composite design and optimum conditions was set as: pH 8, 0.018 g MWCNTs, 8 mg L(-1) dye mixed with 50 mL solution thoroughly for 10 min. The Langmuir, Freundlich, Temkin and D-R isothermal models are applied to fitting the experimental data, and the data was well explained by the Langmuir model with a maximum adsorption capacity of 62.11-80.64 mg g(-1) in a short time at 25 °C. Kinetic studies at various adsorbent dosages and the initial MG concentration show that maximum MG removal was achieved within 10 min of the start of every experiment under most conditions. The adsorption obeys the pseudo-second-order rate equation in addition to the intraparticle diffusion model. The optimal parameters (C of 0.2509, σ(2) of 0.1288 and ε of 0.2018) for the SVR model were obtained based on the GA. For the testing data set, MSE values of 0.0034 and the coefficient of determination (R(2)) values of 0.9195 were achieved.

2.
J Colloid Interface Sci ; 461: 425-434, 2016 Jan 01.
Artigo em Inglês | MEDLINE | ID: mdl-26414425

RESUMO

Two novel and eco friendly adsorbents namely tin oxide nanoparticles loaded on activated carbon (SnO2-NP-AC) and activated carbon prepared from wood tree Pistacia atlantica (AC-PAW) were used for the rapid removal and fast adsorption of methyl orange (MO) from the aqueous phase. The dependency of MO removal with various adsorption influential parameters was well modeled and optimized using multiple linear regressions (MLR) and least squares support vector regression (LSSVR). The optimal parameters for the LSSVR model were found based on γ value of 0.76 and σ(2) of 0.15. For testing the data set, the mean square error (MSE) values of 0.0010 and the coefficient of determination (R(2)) values of 0.976 were obtained for LSSVR model, and the MSE value of 0.0037 and the R(2) value of 0.897 were obtained for the MLR model. The adsorption equilibrium and kinetic data was found to be well fitted and in good agreement with Langmuir isotherm model and second-order equation and intra-particle diffusion models respectively. The small amount of the proposed SnO2-NP-AC and AC-PAW (0.015 g and 0.08 g) is applicable for successful rapid removal of methyl orange (>95%). The maximum adsorption capacity for SnO2-NP-AC and AC-PAW was 250 mg g(-1) and 125 mg g(-1) respectively.


Assuntos
Compostos Azo/isolamento & purificação , Carbono/química , Nanopartículas/química , Pistacia/química , Compostos de Estanho/química , Madeira/química , Adsorção , Compostos Azo/química , Análise dos Mínimos Quadrados , Modelos Lineares , Estrutura Molecular , Tamanho da Partícula , Máquina de Vetores de Suporte , Propriedades de Superfície
3.
Spectrochim Acta A Mol Biomol Spectrosc ; 153: 257-67, 2016 Jan 15.
Artigo em Inglês | MEDLINE | ID: mdl-26318700

RESUMO

In this work, central composite design (CCD) combined with response surface methodology (RSM) and desirability function approach (DFA) gives useful information about operational condition and also to obtain useful information about interaction and main effect of variables concerned to simultaneous ultrasound-assisted removal of brilliant green (BG) and eosin B (EB) by zinc sulfide nanoparticles loaded on activated carbon (ZnS-NPs-AC). Spectra overlap between BG and EB dyes was extensively reduced and/or omitted by derivative spectrophotometric method, while multi-layer artificial neural network (ML-ANN) model learned with Levenberg-Marquardt (LM) algorithm was used for building up a predictive model and prediction of the BG and EB removal. The ANN efficiently was able to forecast the simultaneous BG and EB removal that was confirmed by reasonable numerical value i.e. MSE of 0.0021 and R(2) of 0.9589 and MSE of 0.0022 and R(2) of 0.9455 for testing data set, respectively. The results reveal acceptable agreement among experimental data and ANN predicted results. Langmuir as the best model for fitting experimental data relevant to BG and EB removal indicates high, economic and profitable adsorption capacity (258.7 and 222.2 mg g(-1)) that supports and confirms its applicability for wastewater treatment.

4.
Spectrochim Acta A Mol Biomol Spectrosc ; 142: 135-49, 2015 May 05.
Artigo em Inglês | MEDLINE | ID: mdl-25699703

RESUMO

In this study, copper nanowires loaded on activated carbon (Cu-NWs-AC) was used as novel efficient adsorbent for the removal of malachite green (MG) from aqueous solution. This new material was synthesized through simple protocol and its surface properties such as surface area, pore volume and functional groups were characterized with different techniques such XRD, BET and FESEM analysis. The relation between removal percentages with variables such as solution pH, adsorbent dosage (0.005, 0.01, 0.015, 0.02 and 0.1g), contact time (1-40min) and initial MG concentration (5, 10, 20, 70 and 100mg/L) was investigated and optimized. A three-layer artificial neural network (ANN) model was utilized to predict the malachite green dye removal (%) by Cu-NWs-AC following conduction of 248 experiments. When the training of the ANN was performed, the parameters of ANN model were as follows: linear transfer function (purelin) at output layer, Levenberg-Marquardt algorithm (LMA), and a tangent sigmoid transfer function (tansig) at the hidden layer with 11 neurons. The minimum mean squared error (MSE) of 0.0017 and coefficient of determination (R(2)) of 0.9658 were found for prediction and modeling of dye removal using testing data set. A good agreement between experimental data and predicted data using the ANN model was obtained. Fitting the experimental data on previously optimized condition confirm the suitability of Langmuir isotherm models for their explanation with maximum adsorption capacity of 434.8mg/g at 25°C. Kinetic studies at various adsorbent mass and initial MG concentration show that the MG maximum removal percentage was achieved within 20min. The adsorption of MG follows the pseudo-second-order with a combination of intraparticle diffusion model.


Assuntos
Carvão Vegetal/química , Corantes/isolamento & purificação , Cobre/química , Nanofios/química , Corantes de Rosanilina/isolamento & purificação , Poluentes Químicos da Água/isolamento & purificação , Adsorção , Algoritmos , Cinética , Modelos Químicos , Redes Neurais de Computação , Purificação da Água
5.
Spectrochim Acta A Mol Biomol Spectrosc ; 137: 1004-15, 2015 Feb 25.
Artigo em Inglês | MEDLINE | ID: mdl-25286113

RESUMO

In the present study, zinc sulfide nanoparticle loaded on activated carbon (ZnS-NP-AC) simply was synthesized in the presence of ultrasound and characterized using different techniques such as SEM and BET analysis. Then, this material was used for brilliant green (BG) removal. To dependency of BG removal percentage toward various parameters including pH, adsorbent dosage, initial dye concentration and contact time were examined and optimized. The mechanism and rate of adsorption was ascertained by analyzing experimental data at various time to conventional kinetic models such as pseudo-first-order and second order, Elovich and intra-particle diffusion models. Comparison according to general criterion such as relative error in adsorption capacity and correlation coefficient confirm the usability of pseudo-second-order kinetic model for explanation of data. The Langmuir models is efficiently can explained the behavior of adsorption system to give full information about interaction of BG with ZnS-NP-AC. A multiple linear regression (MLR) and a hybrid of artificial neural network and partial swarm optimization (ANN-PSO) model were used for prediction of brilliant green adsorption onto ZnS-NP-AC. Comparison of the results obtained using offered models confirm higher ability of ANN model compare to the MLR model for prediction of BG adsorption onto ZnS-NP-AC. Using the optimal ANN-PSO model the coefficient of determination (R(2)) were 0.9610 and 0.9506; mean squared error (MSE) values were 0.0020 and 0.0022 for the training and testing data set, respectively.


Assuntos
Carvão Vegetal/química , Modelos Químicos , Nanopartículas/química , Redes Neurais de Computação , Compostos de Amônio Quaternário/química , Sulfetos/química , Compostos de Zinco/química , Purificação da Água/métodos
6.
Spectrochim Acta A Mol Biomol Spectrosc ; 138: 789-99, 2015 Mar 05.
Artigo em Inglês | MEDLINE | ID: mdl-25435487

RESUMO

The present work focused on the removal of sunset yellow (SY) dye from aqueous solution by ultrasound-assisted adsorption and stirrer by activated carbon prepared from wood of an orange tree. Also, the artificial neural network (ANN) model was used for predicting removal (%) of SY dye based on experimental data. In this study a green approach was described for the synthesis of activated carbon prepared from wood of an orange tree and usability of it for the removal of sunset yellow. This material was characterized using scanning electron microscopy (SEM) and transmission electron microscopy (TEM). The impact of variables, including initial dye concentration (mg/L), pH, adsorbent dosage (g), sonication time (min) and temperature (°C) on SY removal were studied. Fitting the experimental equilibrium data of different isotherm models such as Langmuir, Freundlich, Temkin and Dubinin-Radushkevich models display the suitability and applicability of the Langmuir model. Analysis of experimental adsorption data by different kinetic models including pseudo-first and second order, Elovich and intraparticle diffusion models indicate the applicability of the second-order equation model. The adsorbent (0.5g) is applicable for successful removal of SY (>98%) in short time (10min) under ultrasound condition.


Assuntos
Compostos Azo/isolamento & purificação , Carvão Vegetal/química , Citrus sinensis/química , Redes Neurais de Computação , Ultrassom/instrumentação , Ultrassom/métodos , Madeira/química , Adsorção , Compostos Azo/química , Corantes/química , Concentração de Íons de Hidrogênio , Cinética , Temperatura , Fatores de Tempo
7.
Artigo em Inglês | MEDLINE | ID: mdl-24995412

RESUMO

In this research, ZnO nanoparticle loaded on activated carbon (ZnO-NPs-AC) was synthesized simply by a low cost and nontoxic procedure. The characterization and identification have been completed by different techniques such as SEM and XRD analysis. A three layer artificial neural network (ANN) model is applicable for accurate prediction of dye removal percentage from aqueous solution by ZnO-NRs-AC following conduction of 270 experimental data. The network was trained using the obtained experimental data at optimum pH with different ZnO-NRs-AC amount (0.005-0.015 g) and 5-40 mg/L of sunset yellow dye over contact time of 0.5-30 min. The ANN model was applied for prediction of the removal percentage of present systems with Levenberg-Marquardt algorithm (LMA), a linear transfer function (purelin) at output layer and a tangent sigmoid transfer function (tansig) in the hidden layer with 6 neurons. The minimum mean squared error (MSE) of 0.0008 and coefficient of determination (R(2)) of 0.998 were found for prediction and modeling of SY removal. The influence of parameters including adsorbent amount, initial dye concentration, pH and contact time on sunset yellow (SY) removal percentage were investigated and optimal experimental conditions were ascertained. Optimal conditions were set as follows: pH, 2.0; 10 min contact time; an adsorbent dose of 0.015 g. Equilibrium data fitted truly with the Langmuir model with maximum adsorption capacity of 142.85 mg/g for 0.005 g adsorbent. The adsorption of sunset yellow followed the pseudo-second-order rate equation.


Assuntos
Compostos Azo/química , Nanotubos/química , Redes Neurais de Computação , Óxido de Zinco/química , Adsorção , Algoritmos , Compostos Azo/isolamento & purificação , Carvão Vegetal/química , Corantes/química , Corantes/isolamento & purificação , Concentração de Íons de Hidrogênio , Cinética , Microscopia Eletrônica de Varredura , Fatores de Tempo , Poluentes Químicos da Água/química , Poluentes Químicos da Água/isolamento & purificação , Difração de Raios X
8.
Spectrochim Acta A Mol Biomol Spectrosc ; 132: 639-54, 2014 Nov 11.
Artigo em Inglês | MEDLINE | ID: mdl-24892545

RESUMO

The influence of variables, namely initial dye concentration, adsorbent dosage (g), stirrer speed (rpm) and contact time (min) on the removal of methyl orange (MO) by gold nanoparticles loaded on activated carbon (Au-NP-AC) and Tamarisk were investigated using multiple linear regression (MLR) and artificial neural network (ANN) and the variables were optimized by partial swarm optimization (PSO). Comparison of the results achieved using proposed models, showed the ANN model was better than the MLR model for prediction of methyl orange removal using Au-NP-AC and Tamarisk. Using the optimal ANN model the coefficient of determination (R2) for the test data set were 0.958 and 0.989; mean squared error (MSE) values were 0.00082 and 0.0006 for Au-NP-AC and Tamarisk adsorbent, respectively. In this study a novel and green approach were reported for the synthesis of gold nanoparticle and activated carbon by Tamarisk. This material was characterized using different techniques such as SEM, TEM, XRD and BET. The usability of Au-NP-AC and activated carbon (AC) Tamarisk for the methyl orange from aqueous solutions was investigated. The effect of variables such as pH, initial dye concentration, adsorbent dosage (g) and contact time (min) on methyl orange removal were studied. Fitting the experimental equilibrium data to various isotherm models such as Langmuir, Freundlich, Tempkin and Dubinin-Radushkevich models show the suitability and applicability of the Langmuir model. Kinetic models such as pseudo-first order, pseudo-second order, Elovich and intraparticle diffusion models indicate that the second-order equation and intraparticle diffusion models control the kinetic of the adsorption process. The small amount of proposed Au-NP-AC and activated carbon (0.015 g and 0.75 g) is applicable for successful removal of methyl orange (>98%) in short time (20 min for Au-NP-AC and 45 min for Tamarisk-AC) with high adsorption capacity 161 mg g(-1) for Au-NP-AC and 3.84 mg g(-1) for Tamarisk-AC.


Assuntos
Algoritmos , Compostos Azo/isolamento & purificação , Carvão Vegetal/química , Ouro/química , Nanopartículas Metálicas/química , Redes Neurais de Computação , Tamaricaceae/química , Adsorção , Corantes/isolamento & purificação , Concentração de Íons de Hidrogênio , Cinética , Modelos Lineares , Nanopartículas Metálicas/ultraestrutura , Porosidade , Espectrofotometria Ultravioleta , Temperatura , Fatores de Tempo
9.
Spectrochim Acta A Mol Biomol Spectrosc ; 131: 606-14, 2014 Oct 15.
Artigo em Inglês | MEDLINE | ID: mdl-24858196

RESUMO

In this research, a novel adsorbent gold nanoparticle loaded on activated carbon (Au-NP-AC) was synthesized by ultrasound energy as a low cost routing protocol. Subsequently, this novel material characterization and identification followed by different techniques such as scanning electron microscope(SEM), Brunauer-Emmett-Teller(BET) and transmission electron microscopy (TEM) analysis. Unique properties such as high BET surface area (>1229.55m(2)/g) and low pore size (<22.46Å) and average particle size lower than 48.8Å in addition to high reactive atoms and the presence of various functional groups make it possible for efficient removal of 1,3,4-thiadiazole-2,5-dithiol (TDDT). Generally, the influence of variables, including the amount of adsorbent, initial pollutant concentration, contact time on pollutants removal percentage has great effect on the removal percentage that their influence was optimized. The optimum parameters for adsorption of 1,3,4-thiadiazole-2, 5-dithiol onto gold nanoparticales-activated carbon were 0.02g adsorbent mass, 10mgL(-1) initial 1,3,4-thiadiazole-2,5-dithiol concentration, 30min contact time and pH 7. The Adaptive neuro-fuzzy inference system (ANFIS), and multiple linear regression (MLR) models, have been applied for prediction of removal of 1,3,4-thiadiazole-2,5-dithiol using gold nanoparticales-activated carbon (Au-NP-AC) in a batch study. The input data are included adsorbent dosage (g), contact time (min) and pollutant concentration (mg/l). The coefficient of determination (R(2)) and mean squared error (MSE) for the training data set of optimal ANFIS model were achieved to be 0.9951 and 0.00017, respectively. These results show that ANFIS model is capable of predicting adsorption of 1,3,4-thiadiazole-2,5-dithiol using Au-NP-AC with high accuracy in an easy, rapid and cost effective way.


Assuntos
Carvão Vegetal/química , Poluentes Ambientais/isolamento & purificação , Ouro/química , Nanopartículas Metálicas/química , Tiadiazóis/isolamento & purificação , Tolueno/análogos & derivados , Adsorção , Modelos Lineares , Nanopartículas Metálicas/ultraestrutura , Modelos Químicos , Modelos Moleculares , Tolueno/isolamento & purificação
10.
Spectrochim Acta A Mol Biomol Spectrosc ; 125: 264-77, 2014 May 05.
Artigo em Inglês | MEDLINE | ID: mdl-24556135

RESUMO

In this study, graphite oxide (GO) nano according to Hummers method was synthesized and subsequently was used for the removal of methylene blue (MB) and brilliant green (BG). The detail information about the structure and physicochemical properties of GO are investigated by different techniques such as XRD and FTIR analysis. The influence of solution pH, initial dye concentration, contact time and adsorbent dosage was examined in batch mode and optimum conditions was set as pH=7.0, 2 mg of GO and 10 min contact time. Employment of equilibrium isotherm models for description of adsorption capacities of GO explore the good efficiency of Langmuir model for the best presentation of experimental data with maximum adsorption capacity of 476.19 and 416.67 for MB and BG dyes in single solution. The analysis of adsorption rate at various stirring times shows that both dyes adsorption followed a pseudo second-order kinetic model with cooperation with interparticle diffusion model. Subsequently, the adsorption data as new combination of artificial neural network was modeled to evaluate and obtain the real conditions for fast and efficient removal of dyes. A three-layer artificial neural network (ANN) model is applicable for accurate prediction of dyes removal percentage from aqueous solution by GO following conduction of 336 experimental data. The network was trained using the obtained experimental data at optimum pH with different GO amount (0.002-0.008 g) and 5-40 mg/L of both dyes over contact time of 0.5-30 min. The ANN model was able to predict the removal efficiency with Levenberg-Marquardt algorithm (LMA), a linear transfer function (purelin) at output layer and a tangent sigmoid transfer function (tansig) at hidden layer with 10 and 11 neurons for MB and BG dyes, respectively. The minimum mean squared error (MSE) of 0.0012 and coefficient of determination (R(2)) of 0.982 were found for prediction and modeling of MB removal, while the respective value for BG was the MSE and R(2) of 0.001 and 0.981, respectively. The ANN model results show good agreement with experimental data.


Assuntos
Algoritmos , Grafite/química , Azul de Metileno/química , Nanopartículas/química , Compostos de Amônio Quaternário/química , Adsorção , Difusão , Concentração de Íons de Hidrogênio , Cinética , Redes Neurais de Computação , Soluções , Espectroscopia de Infravermelho com Transformada de Fourier , Temperatura , Fatores de Tempo , Difração de Raios X
11.
Ecotoxicol Environ Saf ; 96: 110-7, 2013 Oct.
Artigo em Inglês | MEDLINE | ID: mdl-23849465

RESUMO

In the present study, activated carbon (AC) simply derived from Pistacia khinjuk and characterized using different techniques such as SEM and BET analysis. This new adsorbent was used for methylene blue (MB) adsorption. Fitting the experimental equilibrium data to various isotherm models shows the suitability and applicability of the Langmuir model. The adsorption mechanism and rate of processes was investigated by analyzing time dependency data to conventional kinetic models and it was found that adsorption follow the pseudo-second-order kinetic model. Principle component analysis (PCA) has been used for preprocessing of input data and genetic algorithm optimization have been used for prediction of adsorption of methylene blue using activated carbon derived from P. khinjuk. In our laboratory various activated carbon as sole adsorbent or loaded with various nanoparticles was used for removal of many pollutants (Ghaedi et al., 2012). These results indicate that the small amount of proposed adsorbent (1.0g) is applicable for successful removal of MB (RE>98%) in short time (45min) with high adsorption capacity (48-185mgg(-1)).


Assuntos
Algoritmos , Carvão Vegetal/química , Azul de Metileno/química , Modelos Genéticos , Pistacia/química , Adsorção , Lógica Fuzzy , Cinética , Análise de Componente Principal
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