Molecular Simulation of Methane Adsorption in Different Micro Porous Activated Carbons at Different Temperatures

We employed the previously developed micro porous activated carbon models of different pore sizes ranges of 9-11?,10-12?,and 13-16?that were constructed by molecular simulation method based on a random packing of platelets of carbon sheets,functionalized with oxygen containing groups,to study the adsorption behavior of methane molecules.In studying methane adsorption behavior,we used Grand Canonical Monte Carlo and Molecular Dynamics methods at different temperatures of 273.15,298.15 and303.15 K.Adsorption isotherms,isosteric heats of adsorption,adsorption energy distributions and porosity changes of the models during adsorption process were analyzed and discussed.Furthermore,radial distribution Functions,relative distribution and diffusion coefficients of methane molecules in activated carbon models at different temperatures were studied.After the analysis,the main results indicated that large micro pores activated carbons were favorable for storing methane at lower temperatures and small micro pores were the most favorable for adsorbing methane molecules at higher temperatures.Interestingly,the developed model structures showed high capacities to store methane molecule at ambient temperatures and low pressure.

Highly reactive and reusable heterogeneous activated carbons-based palladium catalysts for Suzuki-Miyaura reaction

Suzuki-Miyaura reaction of aryl halides with phenylboronic acid using a heterogeneous palladium catalyst based on activated carbons(AC) was systematically investigated in this work. Two different reaction modes(batch procedure and continuous-flow procedure) were used to study the variations of reaction processing. The heterogeneous catalysts presented excellent reactivity and recyclability for iodobenzene and bromobenzene substrates in batch mode, which can be attributed to stabilization of Pd nanoparticles by the thiol and amino groups on the AC supports. However, significant dehalogenation in the reaction mixture and Pd leaching from the heterogeneous catalysts were observed in continuous-flow mode.This unique phenomenon in continuous-flow mode resulted in a dramatic decline in reaction selectivity and durability of heterogeneous catalysts comparing with that of batch mode. In addition, the heterogeneous Pd catalysts with thiol-and amino-modified AC supports exhibited different reactivity and durability in batch and continuous-flow mode owing to the difference of interaction between Pd species and AC supports.

Fixed-Bed Column Adsorption Modeling of MnO4- Ions from Acidic Aqueous Solutions on Activated Carbons Prepared with the Biomass

Activated carbons calcined at 400˚C and 600˚C (AC-400 and AC-600), prepared using palm nuts, collected in the town of Franceville in Gabon, were used to study the dynamic adsorption of MnO4- ions in acidic media on fixed bed column and on the kinetic modeling of experimental data of breakthrough curves of MnO4- ions obtained. Results on the adsorption of MnO4- ions in fixed-bed dynamics obtained on AC-400 and AC-600 adsorbents beds indicated that the AC-400 bed appears to be the most efficient in removing MnO4- ions in acidic media. Indeed, the adsorbed amounts, the adsorbed capacities at saturation and the elimination percentage of MnO4- ions obtained with AC-400 (31.24 mg;52.06 mg·g-1 and 41.65% respectively) were higher compared to those obtained with AC-600 (9.87 mg;16.45 mg·g-1 and 17.79% respectively). The breakthrough curves kinetic modeling revealed that the Thomas model and the pseudo-first-order kinetic model were the most suitable models to describe the adsorption of MnO4- ions on adsorbents studied in our experimental conditions. The results of the intraparticle diffusion model showed that intraparticle diffusion was involved in the adsorption mechanism of MnO4- ions on investigated adsorbents and was not the limiting step and the only process controlling MnO4- ions adsorption. In contrast to AC-400, the intraparticle diffusion on AC-600 bed plays an important role in the adsorption mechanism of MnO4- ions.

Synthesis of activated carbons from black sapote seeds,characterization and application in the elimination of heavy metals and textile dyes

Many different techniques may be used to remove industrial pollutants from wastewater. Adsorption using activated carbon has been reported to be an effective method. This work proposes the use of a vegetable residue(black sapote seeds) as a raw material for its synthesis. These carbons were chemically activated using phosphoric acid and carbonized at 673 and 873 K. Adsorption isotherms were constructed for the textile dyes on the carbons, and this data was treated using Langmuir’s equation to quantitatively describe the adsorption process. The synthesized carbons were characterized using FTIR, EA, SEM, Nitrogen adsorption(specific surface areas of 879 and 652 m2·g-1), and their points of zero charge(2.1 and 2.3). It was possible to adsorb both heavy metals and textile dyes present in aqueous solutions and wastewaters using these activated carbons. Heavy metals were adsorbed almost completely by both carbons. Cationic dyes where adsorbed(58–59.8 mg·g-1) in greater amounts compared to anionic dyes(10–58.8 mg·g-1). The amount of anionic dyes adsorbed increased almost 30% by changing the pH of the solutions. One of the carbons was thermally regenerated on three occasions without losing its adsorption capacity and it was proved in a flow system.

Optimization of Preparation Conditions of Activated Carbons Based on the Shells of Ricinodendron heudoltii

The purpose of this work is to prepare better activated carbons from the shells of Ricinodendron Heudelotii by chemical activation with sulfuric acid (H2SO4) and sodium hydroxide (NaOH). The process was optimized by a full factorial design (2K) based on the analysis of the external specific surface area of sixteen (16) activated carbons prepared according to the parameters of the preparation. This active analysis reveals that under the preparation conditions, good carbons are obtained for a sodium hydroxide concentration equal to 1 M, an impregnation time of 24 h and carbonization at 500˚C for 1 h. The external specific surface of this carbon is 358 m2 • g-1. The characteristics of this prepared carbon are as follows: a pH at zero point charge (pHpzc) of 8.2, a predominantly amorphous structure, a basic character and a low ash content (4.2%). It also has surface functions;the lactonic and carbonyl groups (C=O) at 1600 cm-1 and the carboxylate groups (O-H or C-O) at 1340 cm-1.

Preparation of activated carbons and their adsorption properties for greenhouse gases:CH_4 and CO_2

Three kinds of activated carbons were prepared using coconut-shells as carbon precursors and characterized by XRD, FT-IR and texture property test. The results indicate that the prepared activated carbons were mainly amorphous and only a few impurity groups were adsorbed on their surfaces. The texture property test reveals that the activated carbons displayed different texture properties, especially the micropore size distribution. The adsorption capacities of the activated carbons were investigated by adsorbing CH4, CO2, N2 and O2 at 25 ？C in the pressure range of 0-200 kPa. The results reveal that all the activated carbons had high CO2 adsorption capacity, one of which had the highest CO2 adsorption value of 2.55 mmol/g at 200 kPa. And the highest adsorption capacity for CH4 of the activated carbons can reach 1.93 mmol/g at 200 kPa. In the pressure range of 0-200 kPa, the adsorption capacities for N2 and O2 were increased linearly with the change of pressure and K-AC is an excellent adsorbent towards the adsorption separation of greenhouse gases.

Preparation of mesoporous activated carbons from coal liquefaction residue for methane decomposition

Mesoporous activated carbons were prepared from direct coal liquefaction residue （CLR） by KOH activation method, and the experiments were carried out to investigate the effects of KOH/CLR ratio, solvent for mixing the CLR and KOH, and carbonization procedure on the resultant carbon texture and catalytic activity for catalytic methane decomposition （CMD）. The results showed that optimal KOH/CLR ratio of 2 ： 1; solvent with higher solubility to KOH or the CLR, and an appropriate carbonization procedure are conductive to improving the carbon pore structure and catalytic activity for CMD. The resultant mesoporous carbons show higher and more stable activity than microporous carbons. Additionally, the relationship between the carbon textural properties and the catalytic activity for CMD was also discussed.

A mini-review on the modeling of volatile organic compound adsorption in activated carbons: Equilibrium, dynamics, and heat effects

The research on the adsorption equilibria,kinetics,and increase in process temperature of the volatile organic compound(VOC)adsorption in porous materials ensures safe production,thereby reducing production costs and improving separation efficiency.Therefore,it is critical in predicting the entire adsorption process based on minimal or no experimental input of the adsorbate and adsorbent.We discuss,in this review,the factors that affect the adsorption performance of VOCs in activated carbons,including the adsorption equilibrium,adsorption kinetics,and exotherm during adsorption.Subsequently,the existing prediction models are summarized and compared concerning the adsorption equilibrium,adsorption kinetics,and exothermic process of adsorption.We then propose a new prediction model based on intermolecular interaction and provide an outlook toward the design and manipulation of efficient adsorbents for the VOC system.

Removal of phenol by activated carbons prepared from palm oil mill effluent sludge

The study was attempted to produce activated carbons from palm oil mill effluent （POME） sludge. The adsorption capacity of the activated carbons produced was evaluated in aqueous solution of phenol. Two types of activation were followed, namely, thermal activation at 300, 500 and 800%, and physical activation at 150% （boiling treatment）. A control （raw POME sludge） was used to compare the adsorption capacity of the activated carbons produced. The results indicated that the activation temperature of 800℃ showed maximum absorption capacity by the activated carbon （POME 800） in aqueous solution of phenol. Batch adsorption studies showed an equilibrium time of 6 h for the activated carbon of POME 800. It was observed that the adsorption capacity was higher at lower values ofpH （2--3） and higher value of initial concentration of phenol （200--300 mg/L）, The equilibrium data were fitted by the Langmuir and Freundlich adsorption isotherms. The adsorption of phenol onto the activated carbon POME 800 was studied in terms of pseudo-first and second order kinetics to predict the rate constant and equilibrium capacity with the effect of initial phenol concentrations. The rate of adsorption was found to be better correlation for the pseudo-second order kinetics compared to the first order kinetics.

Effect of Adding Microwave Absorber on Structures and Properties of Hypercoal-Based Activated Carbons

Using lignite-based hypercoal as raw material, KOH as activator and CuO as microwave absorber, we prepared hypercoal-based activated carbons by microwave-assisted activation. The pore structure and the electrochemical performance of the activated carbons were tested, and the effects of adding CuO in the activation reaction process were also investigated. The activated carbons prepared were characterized by nitrogen adsorption-desorption, X-ray diffraction (XRD) and scanning electron microscopy (SEM). The specific surface area and mesoporous ratio of the hypercoal-based activated carbon are 1257 m2/g and 55.4%, respectively. When the activated carbons are used as the electrode materials, the specific capacitance reaches 309 F/g in 3 M KOH electrolyte. In comparison with those prepared without CuO absorber, the specific capacitance increases by 11.6%. It was proved that the addition of microwave absorber in microwave-assisted activation was a low-cost method for rapidly preparing activated carbon, and it could effectively promote the development of the pore structure and improve its electrochemical performance.

Granular activated carbons from palm nut shells for gold di-cyanide adsorption

Granular activated carbons were produced from palm nut shells by physical activation with steam. The proximate analysis of palm nut shells was investigated by thermogravimetric analysis, and the adsorption capacity of the activated carbons, produced as a result of shell pyrolysis at 600℃ followed by steam activation at 900℃ in varying activation times, was evaluated using nitrogen adsorption at 77 K. Applicability of the activated carbons for gold dicyanide adsorption was also investigated. Increasing the activation hold time with the attendant increase in the degree of carbon burn-off results in a progressive increase in the surface area of the activated carbons, reaching a value of 903.1 m2/g after activation for 6 h. The volumes of total pores, mieropores, and mesopores in the activated carbons also increase progressively with the increasing degree of carbon burn-off, resulting from increasing the activation hold time. The gold di-cyanide adsorption of the activated carbons increases with the rise of pore volume of the activated carbons. The gold di-cyanide adsorption of palm nut shell activated carbon obtained after 6-h activation at 900℃ is superior to that of a commercial activated carbon used for gold di-cyanide adsorption.

PREPARATION AND CHARACTERIZATION OF POLYMER-BASED SPHERICAL ACTIVATED CARBONS

A series of spherical activated carbons(SACs)with different pore structures were prepared from chloromethylated polydivinylbenzene by ZnCl_2 activation.The effects of activation temperature and retention time on the yield and textural properties of the resulting SACs were studied.All the SACs are generated with high yield of above 65% and exhibit relatively high mesopore fraction(me%)of 35.7%-43.6% compared with conventional activated carbons.The sample zlc28 prepared at 800℃for 2 h has the largest BET surf...

Role of the surface chemistry of activated carbons in dye removal from aqueous solution

Commercial activated carbons were modified by a series of chemical or physical treatments using H202, NH3, and heating under N2 flow without notably changing their pore structures. The resultant carbons were characterized by N2 adsorption and Bohem titration and then used to remove Ponceau 4R, methyl orange and brilliant blue from aqueous solutions. Surface chemistry was found to play a signifi- cantly different role in removing these three compounds. The removal of anionic Ponceau 4R increases with increasing carbon surface ba- sicity due to the predominant dispersive interaction mechanism. In contrast, surface chemistry has little effect on the removal of anionic methyl orange, which can be explained by two parallel mechanisms involving electrostatic and dispersive interactions due to the basic amine group in a dye molecule. The influence of surface chemistry on the removal of amphoteric brilliant blue dye can also be ignored due to a weak interaction between the carbons and dye molecules, which is resulted from strong cohesive energy from electrostatic forces inside amphoteric dye molecules.

Activated carbons derived from oil palm empty-fruit bunches: Application to environmental problems

Activated carbons derived from oil palm empty fruit bunches （EFB） were investigated to find the suitability of its application for removal of phenol in aqueous solution through adsorption process, Two types of activation namely; thermal activation at 300, 500 and 800℃and physical activation at 150℃ （boiling treatment） were used for the production of the activated carbons. A control （untreated EFB） was used to compare the adsorption capacity of the activated carbons produced from these processes. The results indicated that the activated carbon derived at the temperature of 800℃ showed maximum absorption capacity in the aqueous solution of phenol. Batch adsorption studies showed an equilibrium time of 6 h for the activated carbon at 800℃. It was observed that the adsorption capacity was higher at lower values of pH （2-3） and higher value of initial concentration of phenol （200-300 mg/L）. The equilibrium data fitted better with the Freundlich adsorption isotherm compared to the Langmuir. Kinetic studies of phenol adsorption onto activated carbons were also studied to evaluate the adsorption rate. The estimated cost for production of activated carbon from EFB was shown in lower price （USD 0.50/kg of activated carbon） compared the activated carbon from other sources and processes.

Surface functional groups and redox property of modified activated carbons

一系列激活的碳(交流) 与目的作为激活代理人用 HNO3， H2O2 和蒸气被准备在交流准备过程把功能的组介绍给碳表面。激活代理人，功能的组和交流的氧化还原作用性质被温度节目解吸附作用(TPD ) 描绘的表面上的激活时间和周期的 Voltammetry (CV ) 的集中的效果。结果证明交流的内酯组与组们与 HNO3 的集中增加的激活时间，和 carboxyl 由 HNO3 增加激活。交流的羰基 / 奎宁组与激活时间和 H2O2 的集中由 H2O2 增加激活，尽管酸的组与 H2O2 的集中减少。CV 在 0 和 0.5 V 反映的氧化还原作用性质与功能的组由 TPD 描绘了的任何种氧是不同的，但是它与 SO2 催化氧化 / 氧化性质由 TPR 显示了一致。

Enhancement of gaseous mercury(Hg^0) adsorption for the modified activated carbons by surface acid oxygen function groups

This article discussed the benzoic acid activated carbons which have changed the types and content of acid oxygen-function groups on the surface of activated carbons and their effect on the adsorption for Hg^0 in simulated flue gas at 140 ℃. These surface acid oxygen function groups were identified by Boehm titration, Fourier transformation infrared spectrum, temperature programmed desorption and X-ray photoelectron spectroscopy. It indicates that the carboxyl, lactone and phenolic were formed when the benzoic acid is loaded on the surface of activated carbons. Among the surface acid oxygen function groups, the carboxyl groups enhance the adsorption capacities of Hg^0 for activated carbons to a greater extent.

Adsorption of Indigo Carmine Dye by Composite Activated Carbons Prepared from Plastic Waste (PET) and Banana Pseudo Stem

This study is on the adsorption of indigo carmine dye by composite activated carbons prepared from banana pseudo stems and plastic waste. The activated carbons named TB1P1, TB1P1h and TB2P1 were obtained by pyrolysis at 700°C under steam of raw materials at different ratios (1:1 and 2:1). They were characterized by different techniques such as SEM/EDX, Raman Spectroscopy, FTIR, XRD, TGA/DTA and BET/BJH. Analyses indicate amorphous structures with specific surface areas of 424.37;385.45 and 338.84 m2/g for TB1P1, TB1P1h and TB2P1 respectively. The study of the adsorption of indigo carmine dye by these adsorbents was carried out by varying parameters such as contact time, mass of adsorbent and initial concentration of the dye. The maximum retention is 94.71%, 86.18% and 84.17% for TB1P1, TB1P1h and TB2P1 respectively after 60 min of stirring, for a pH = 4.6 using 0.6 g of adsorbents. The adsorption of indigo carmine follows well, the Langmuir model, with the most suitable kinetics as pseudo second order.

Activated Carbons Based on Shea Nut Shells (<i>Vitellaria paradoxa</i>): Optimization of Preparation by Chemical Means Using Response Surface Methodology and Physicochemical Characterization

In this study, shea residues (Vitellaria paradoxa) dumped in the wild by the units processing almonds into butter were used in the production of activated carbons. Shea nut shells harvested in the locality of Baktchoro, West Tandjile Division of Chad were used as a precursor for the preparation of activated carbons by chemical activation with phosphoric acid (H3PO4) and sulphuric acid (H2SO4). Central Composite Design (CCD) was used to optimize the preparation conditions, and the factors used were concentration of activating agent (1 - 5 M), carbonization temperature (400°C - 700°C) and residence time (30 - 120 min). The studies showed that at optimal conditions the yield was 51.45% and 42.35%, while the iodine number (IN) was 709.45 and 817.36 mg/g for CAK-P (phosphoric acid activated carbon) and CAK-S (sulphuric acid activated carbon) respectively. These two activated carbons (ACs) which were distinguished by their considerable iodine number, were variously characterized by elementary analysis, pH at the point of zero charge (pHpzc), bulk density, moisture content, Boehm titration, Fourier transform infrared spectroscopy, BET adsorption and scanning electron microscopy. These analyses revealed the acidic and microporous nature of CAK-P and CAK-S carbons, which have a specific microporous surface area of 522.55 and 570.65 m2·g−1 respectively.

Batch Studies for the Removal of a Hazardous Azo Dye Methyl Orange from Water through Adsorption on Regenerated Activated Carbons

The study of the performances of regenerated activated carbons for the adsorption of MO(methyl orange)in an aqueous medium was carried out with the aim to evaluate the adsorption capacities of these activated carbons.Three regenerated activated carbons issued from the unit of oil treatment of the thermal power station of Dibamba(Cameroon)-DPDC(Dibamba Power Development Company)were obtained thermally and chemically.These three samples(namely CAR 400℃(chemical regenerated activated carbon at 400℃),CAR 700℃(physical regenerated activated carbon at 700℃)and CAR 900℃(physical regenerated activated carbon at 900℃))and the non-used one CA were characterized by iodine number,XRD(X-ray Diffraction)and FTIR(Fourier-transform infrared spectroscopy).MO adsorption tests were performed in batch mode;this technique allowed the study of the influence of the parameters such as:the contact time,the initial’s MO concentration and the pH.Moreover,different kinetic models(first-order,pseudo-second-order and Webber and Morris intra-particle diffusion)and adsorption isotherms(Langmuir and Freundlich)are used for the evaluation of adsorption capacities.The physicochemical characterization of these adsorbents showed that they were micro-porous(iodine value:600 mg/g)and strongly crystallized according to their regeneration pathways.The influence of the parameters revealed that the adsorption of MO is the most favorable for concentrations from 5 to 25 mg/L(for materials CA and CAR 400℃)and 10 to 25 g/L(for materials CAR 700℃ and 900℃);and that it was maximum in acid medium(at pH=3 on the materials CA,CAR 400℃,CAR 900℃ and at pH=5 on the material CAR 900℃).The modeling of the adsorption kinetics of MO has revealed the conformity of the kinetic model of pseudosecond-order and intra-particle diffusion for some of these materials.The study of isotherms has shown that the Langmuir isotherm best describes the adsorption of MO on most of these adsorbents.

Optimization of Activated Carbons Prepared from <i>Parinari macrophylla</i>Shells

Plant matter constitutes an important source for producing carbonaceous materials. This work deals with the preparation of active carbons from shells of Parinari macrophylla (agricultural waste in Niger). Physical, chemical and mixed activations are considered. Several parameters of preparation are optimized, as the nature of the activation gas (N2 or CO2, dry and wet), the concentration of the activating agent (H3PO4), the time of impregnation and the pyrolysis temperature program. The active carbons are characterized through their iodine numbers, their specific surface areas and their porous volumes. Active carbons, produced from shells of Parinari macrophylla display iodine numbers up to 599 mg I2/g and specific surface areas up to 727 m2/g. They also show microporous characteristics, with a mean pore diameter, usually, lower than 20 Å and a microporous surface percentage up to 88.7% and a microporous volume percentage up to 82.1%. The microporosity is far more developed for the active carbons produced by chemical activation.