By polymerizing acrylonitrile in the presence of ammonium persulfate as an initiator and Pterocladia capillacea-activated carbon (P-AC) as a filler, a composite material polyacrylonitrile/Pterocladia capillacea-activated carbon (PAN/P- AC) was developed. By reacting hydroxylamine with the composite's nitrile groups, the prepared composite was functionalized by amidoximation. FTIR spectrometry, thermogravimetric analysis (TGA), scanning electron microscopy (SEM), energy-dispersive X-ray spectroscopy (EDX), and Brunauer–Emmett–Teller (BET) analysis were all applied to thoroughly characterize the fabricated adsorbent. For the treatment of Cr(VI) ions from synthetic solutions, the adsorption properties of amidoximated polyacrylonitrile/Pterocladia capillacea-activated carbon (PAO/P-AC) were investigated. The pH effect, uptake kinetics, adsorption isotherms, and thermodynamics studies were used to characterize adsorption properties. As a kinetic model analysis, the data confirmed that the pseudo-second-order rate equation matched well the adsorption process. With coefficients of determination (R2) of 0.9998, the Tempkin isotherm model had the lowest error, suggesting that it is the best fitted model to describe this adsorption mechanism. Thermodynamic parameters demonstrated that Cr(VI) adsorption was endothermic.

The electrical resistances of small-sized activated carbon fiber (ACF) fabric (specific surface area: 1244.7 m2/ g, average pore diameter: 1.92 nm) and felt (specific surface area: 1321.2 m2/ g, average pore diameter: 2.21 nm) sensors were measured in a temperature and humidity controlled gas chamber by CO2 adsorption at different surrounding CO2 concentrations (3000–10,000 ppm). The electrical resistances of ACF sensors decreased linearly as the increase of temperature and decreased exponentially as the increase of humidity in the ambient atmospheric chamber. The electrical resistances of ACF rapidly decreased within 4 s and an equilibrium state was achieved within 10 s due to the very rapid CO2 adsorption at room temperature and 40% humidity. Comparing the difference in electrical resistance values measured during injection of similar concentrations of CO2 after reaching the equilibrium value, the fabric exhibited a significant change, whereas the felt did not, even though it had a relatively larger specific surface area. The reason is that micropore volume greatly affected the amount of CO2 adsorbed, whereas the specific surface area did not affect it as much. Therefore, ACF fabric with large micropores (> 2.0 nm) can be developed and used as CO2 sensors in small rooms such as a passenger vehicles.

Sugarcane bagasse has been used as a substrate for the development of microporous nano-activated carbons for the treatment and elimination of dissolved materials from aquatic environment. The activated carbon was produced using chemical activation in one-step method with zinc chloride ( ZnCl2) as the activating agent at a carbonization temperatures range from 500 to 900 °C. The effects of temperature and time of carbonization on the activated carbon product properties were thoroughly studied. The activated carbons that resulted were characterized using the N2 adsorption/desorption isotherms, Brunauer–Emmett–Teller method (BET), pore property analysis, micropore (MP) surface area, t-plot surface area, TGA, FTIR, SEM, TEM, and EDX analyses. The prepared activated carbon’s point of zero charge, Boehm titration process, iodine removal percentage, and methylene blue number were also investigated. The prepared activated carbon’s maximum surface area was achieved using a 2/1 impregnation ratio (dried sugarcane bagasse/ZnCl2) at 600 °C temperature of carbonization and 60 min residence time. 1402.2 m2/ g, 0.6214 and 1.41 cm3/ g, respectively, were the largest surface area, total pore volume, and micropore volume. As the activation temperature increased, the total pore volume increased and the BET study measured a pore diameter of 0.7 nm and a mean pore diameter of 1.77 nm.

The production of macroalgae-derived adsorbent is of great importance to realize the idea of treating pollutants with invaluable renewable materials. Herein, a novel meso-micro porous nano-activated carbon was prepared from green alga Ulava lactuca in a facile way via chemical activation with zinc chloride. The resultant activated carbon possesses a significant specific surface area 1486.3 m2/ g. The resulting activated carbon was characterized and investigated for the adsorption of Direct Red 23 (DR23) dye from an aqueous environment. Batch method was conducted to study the effects of different adsorption processes on the DR23 dye adsorption from water. Isotherms and kinetics models were investigated for the adsorption process of DR23 dye. It was found that the adsorption data were well fitted by Langmuir model showing a monolayer adsorption capacity 149.26 mg/g. Kinetic experiments revealed that the adsorptions of DR23 dye can be described with pseudo-secondorder model showing a good correlation (R2 > 0.997). The prepared activated carbon from Ulava lactuca was exposed to a total of six regeneration experiments. The regeneration result proved that the fabricated activated carbon only loses 19% of its adsorption capacity after six cycles. These results clearly demonstrated the high ability of the obtained active carbon to absorb anionic dyes from the aqueous environment.

This work using first-principles theory proposed PdN3- doped CNT ( PdN3-CNT) as a potential gas sensor for detection of NO, NO2 and O3 in the air insulated equipment, to evaluate its operation status. Results indicate that the PdN3- CNT behaves chemisorption upon three gas species, with adsorption energy (Ead) of − 2.15, − 1.91 and − 1.96 eV, and charge-transfer (QT) of − 0.141, − 0.325 and − 0.419 e, respectively. The band structure (BS) and density of state (DOS) analysis reveal that the gas adsorptions cause remarkable deformations in the electronic property of the PdN3- CNT, leading to the increase of the bandgap for the gas adsorbed systems and verifying the strong binding force of the bonded atoms from the orbital DOS. Combined with the results by frontier molecular orbital theory, we presume that PdN3- CNT is a promising sensing material to be explored as a resistance-type gas sensor for detection of NOx with higher electrical response upon NO. It is our hope that our theoretical assumption could be further studied and realized in the following experiential research, which would be meaningful to propose novel sensing candidate in the field of electrical engineering to guarantee the safe operation of the air insulation equipment.

세계적인 에너지 수요의 증가는 통제할 수 없는 환경 오염을 야기하고 있다. 화석 연료에 대한 수요와 그로 인한 탄소 배출이 지구 온난화와 기후 변화로 이어진 것이다. 핵에너지는 청정 에너지를 생산하는 대체 자원이지만 핵연료 채굴은 유해한 화학물질과 관련이 있다. 반면에 막 분리 과정을 통해 바닷물에서 중요 광물을 채굴하는 것은 효율적이며 친환경적이 다. 분리와 흡착을 통해 해수로부터 주요 광물을 채굴하는 것은 또 다른 효율적인 과정이다. 희토류 원소에서 악티늄족을 회 수하는 것은 매우 어렵고 고비용의 과정이다. 압력 기반 막 분리 과정은 친환경적일 뿐만 아니라 경제적으로 실현가능한 과 정이기도 하다. 본 리뷰에서 다루는 막 공정에는 폴리에테르 설폰, 폴리아미드, 폴리이미드, 폴리아미독신 및 하이브리드 막 이 있다. 또한 흡착 공정의 경우, 주로 아미독심 종류의 흡착제가 논의될 것이다.

Here, a novel nitrogen-doped carbon nano-material (N-CGNM) with hierarchically porous structure was prepared from spent coffee ground for efficient adsorption of organic dyes by a simple one-step carbonization process (the uniform mixture consists of spent coffee ground, urea, and CaCl2 with the ratio of 1:1:1, which was heated to 1000 °C with a rate of 10 °C min− 1 and held at 1000 °C for 90 min in N2 atmosphere to carry out carbonization, activation, and N-doping concurrently). The morphology and structure analysis show that the prepared N-CGNM exhibits hierarchical pore structure, high specific surface area (544 m2/ g), and large numbers of positively charged nitrogen-containing groups. This unique structure and chemical composition endow N-CGNM with an excellent adsorption capacity toward anion Congo red (623.12 ± 21.69 mg/g), which is obviously superior to that (216.47 ± 18.43 mg/g) of untreated spent coffee ground-based carbon nano-materials (CGM). Oppositely, the adsorption capacity of N-CGNM towards cation methylene blue is inferior to that of CGM due to the existence of electrostatic repulsion. These findings show a great guidance for the development of low-cost but efficient selective adsorbent.

목적 : 본 연구는 3-[{2-(Methacryloyloxy)ethyl}dimethylammonio]propane-1-sulfonate(DMAPS)로 기능화된 하이드로겔 콘택트렌즈를 개발하고, 이들의 물리적 물성과 단백질 및 세균의 흡착성을 조사하기 위한 것이다. 방법 : 하이드로겔 콘택트렌즈는 2-hydroxyethyl methacrylate(HEMA)와 ethylene glycol dimethacrylate (EGDMA)의 공중합에 의해 제조되었다. 연속적으로 벤조페논의 흡착과 DMAPS 단량체의 UV 유도 자유 라디칼 중합을 통해 양쪽 이온성이 기능화된 하이드로겔 콘택트렌즈를 제조하였다. 제조된 콘택트렌즈의 수분함량, 접촉각, 광학적 특성, 단백질 및 세균 흡착을 분석하였다. 결과 : DMAPS으로 기능화된 하이드로겔 콘택트렌즈는 더 높은 수분 함량, 향상된 표면 습윤성 및 우수한 가시광선 투과율을 가지고 있다. 더욱이, 하이드로겔 콘택트렌즈 표면에 양쪽 이온성의 DMAPS가 존재하기 때문에 라이소자임 및 알부민과 같은 단백질의 흡착이 낮아지고 세균 흡착이 대군에 비해 감소하였다. 결론 : 양쪽 이온성의 DMAPS을 이용한 하이드로겔 콘택트렌즈의 기능화 방법은 습윤성이 우수하고 단백질 및 세균 흡착을 감소시킬 수 있는 기능성 콘택트렌즈의 개발을 위한 전략을 제공할 수 있다.

Sensing of volatile organic compounds (VOCs) is a growing research topic because of the concern about their hazard for the environment and health. Furan is a VOC produced during food processing, and it has been classified as a risk molecule for human health and a possible biomarker of prostate cancer. The use of carbon nanotubes for VOCs sensing systems design could be a good alternative. In this work, a theoretical evaluation of the interactions between furan and zigzag single-wall carbon nanotubes takes into account different positions and orientations of the furan molecule, within a density-functional theory first-principles approach. The van der Waals interactions are considered using different exchange-correlation functionals (BH,C09, DRSLL and KBM). The results indicate that vdW-functionals do not significantly affect geometry; however, the binding energy and the distance between furan and nanotube are strongly dependent on the selected exchange-correlation functional. On the other hand, the effects of single and double vacancies on carbon nanotube are considered. It was found that the redistribution of charge around the single-vacancy affects the bandgap, magnetic moment, and binding energy of the complex, while furan interaction with a double-vacancy does not considerably change the electronic structure of the system. Our results suggest that to induce changes in the electronic properties of carbon nanotubes by furan, it is necessary to change the nanotube surface, for example, by means of structural defects.

This work reports utilization of apple leaves as a source of activated carbon. Activated carbon from apple leaves is prepared by two different methods, thermal activation where AC1 is obtained and chemical activation using H3PO4 and ZnCl2 where AC2 and AC3 are obtained, respectively. XRD analysis revealed that all types of prepared ACs have a semi-crystalline nature with a mean crystallite size of 13, 21.02, and 39.47 nm for AC1, AC2, and AC3, respectively. To identify the most suitable desorption temperature, the exothermic behavior was discovered for the three types of ACs by DSC. The exothermic onset temperatures are 340 °C, 200 °C, 400 °C, or AC1, AC2, and AC3, respectively. The point of zero charge for the three types of ACs is 8.6, 7.3, and 2.5 for AC1, AC2, and AC3, respectively. The BET surface area analysis data demonstrated that mesoporous structure was developed in AC1 and AC2, while a microporous structure was developed in AC3. Quantum chemical calculations for ACs is carried out using Density Functional Theory (DFT). Application of the prepared ACs in adsorption of basic dye C.I. base blue 47 is studied. The maximum removal efficiency was 65.1%, 96% and 99% for AC1, AC2, and AC3, respectively under the influence of different operating aspects. Adsorption data are modeled by Langmuir, Freundlich, and Temkin isotherms. The data revealed that adsorption of basic dye C.I. base blue 47 on AC1 follows Langmuir isotherm and adsorption on AC2 and AC3 follows Freundlich isotherm.

This work reveals a modified method for the preparation of activated carbon (P-ACA) using low-cost materials (mix natural asphalt: polypropylene waste). The P-ACA was prepared at 600 °C by assisting KOH and HF. The morphological variations and chemical species of the P-ACA were characterized using SEM–EDX and FTIR. The active surface area, density and ash content of the P-ACA were also investigated. Adsorption properties of P-ACA were used for the thermodynamic and kinetic study of 4-((2-hydroxy naphthalenyl) diazenyl) antipyrine (HNDA), which was prepared as a novel azo dye in this work. The optimal conditions (initial concentration, adsorbent dose, contact time and temperature) of the adsorption process were determined. Adsorption isotherms (Freundlich and Langmuir) were applied to the experimental data. These isothermal constants were used to describe the nature of the adsorption system, and the type of interaction between the dye and the P-ACA surface. The results have indicated that the mixture (Natural asphalt-polypropylene waste) is efficient for the synthesis of P-ACA. The synthesized P-ACA demonstrates the presence of pores on the surface with various diameter ranges (from 1.4 to 4.5 μm). Furthermore, P-ACA exhibits an active surface area of 1230 m2 g−1, and shows a high adsorption capacity for HNDA.

Prediction of the behavior of heavy metals over time is important to evaluate the heavy metal toxicity in algae species. Various modeling studies have been well established, but there is a need for an improved model for predicting the chronic effects of metals on algae species to combine the metal kinetics and biological response of algal cells. In this study, a kinetic dynamics model was developed to predict the copper behavior (5 μg L-1, 10 μg L-1, and 15 μg L-1) for two freshwater algae (Pseudokirchneriella subcapitata and Chlorella vulgaris) in the chronic exposure experiments (8 d and 21 d). In the experimental observations, the rapid change in copper mass between the solutions, extracellular and intracellular sites occurred within initial exposure periods, and then it was slower although the algal density changed with time. Our model showed a good agreement with the measured copper mass in each part for all tested conditions with an elapsed time (R 2 for P. subcapitata: 0.928, R 2 for C. vulgaris: 0.943). This study provides a novel kinetic dynamics model that is compromised between practical simplicity and realistic complexity, and it can be used to investigate the chronic effects of heavy metals on the algal population.

Preparation of activated carbon from biomass residue with conventional steam activation was conducted to find the alternative raw materials for meeting the high demand for low-cost porous material in the desiccant application. In this study, activated carbons were produced from dead camphor leaves using two-step methods at different preparation temperatures. The characterization results revealed that the prepared activated carbons have a surface area of 700 m2/g, with 75% of microporosity. The water vapor sorption study reported that the water uptake of camphor leaf-based activated carbons was strongly affected by the pore properties of the materials. Moreover, from the water adsorption kinetics, it was observed that the rate constant of adsorption was varied at each relative pressure, which can be assumed that the water adsorption mechanism is different at each relative pressure. From these results, it was revealed that the prepared camphor leaf-based activated carbons have a promising ability to adsorb water vapor from humid air.

The adsorption of molecular hydrogen on the monolayer graphene sheet under varied temperature and pressure was studied using molecular dynamics simulations (MDS). A novel method for obtaining potential energy distributions (PEDs) of systems was developed to estimate the gravimetric density or weight percentage of hydrogen. The Tersoff and Lennard–Jones (LJ) potentials were used to describe interatomic interactions of carbon–carbon atoms in the graphene sheet and the interactions between graphene and hydrogen molecules, respectively. The results estimated by the use of novel method in conjunction with MDS developed herein were found to be in excellent agreement with the existing experimental results. The effect of pressure and temperature was studied on the adsorption energy and gravimetric density for hydrogen storage. In particular, we focused on hydrogen adsorption on graphene layer considering the respective low temperature and pressure in the range of 77–300 K and 1–10 MPa for gas storage purpose which indicate the combination of optimal extreme conditions. Adsorption isotherms were plotted at 77 K, 100 K, 200 K, and 300 K temperatures and up to 10 MPa pressure. The simulation results indicate that the reduction in temperature and increase in pressure favor the gravimetric density and adsorption energies. At 77 K and 10 MPa, the maximum gravimetric density of 6.71% was observed. Adsorption isotherms were also analyzed using Langmuir, Freundlich, Sips, Toth, and Fritz–Schlunder equations. Error analysis was performed for the determination of isotherm parameters using the sum of the squares of errors (SSE), the hybrid fractional error function (HYBRID), the average relative error (ARE), the Marquardt’s percent standard deviation (MPSD), and the sum of the absolute errors (SAE).

Hierarchical porous carbons (HPCs) have been successfully prepared by a facile carbonization and subsequent CO2 activation process using corncob as a natural carbon precursor and Mg(C2H3O2)2 as a MgO nano-template precursor. The prepared corncob-based hierarchical porous carbons (C-HPCs) with desirable micropores and mesopores feature the excellent absorbency of gas (i.e., CO2 and CH4) and solution (i.e., methylene blue (MB)). Increasing the ratio of Mg(C2H3O2)2/corncob enlarged the specific surface area up to 1004 m2/ g, micropore and mesopore volumes, CO2, CH4, and MB adsorption capacities (112, 31 and 230 mg/g after 325 min, respectively). The results indicated that the pore structures of C-HPCs can be easily and suitably controlled by the amount of the template precursor and CO2 activation effecting concurrently, which leads to fascinating adsorption capacity for CO2, CH4, and MB.

Chitosan, natural organic polymer, has been applied in water treatment as adsorbent due to non-toxic for human being. The amino group as functional group, can interacts with cation and anion at the same time. The prepared chitosan bead (HCB) was crosslinked to increase chemical stability (HCB-G) and both HCB and HCB-G were prepared to increase physical strength by drying referred to DCB and DCB-G, respectively. The adsorption effect for crosslinking and drying for four types of chitosan bead was tested using pseudo fist order (PFO), pseudo second order (PSO), and intraparticle diffusion model (ID). Regardless of PFO and PSO, the order of K, rate constant, is as followed: HCB > HCB-G > DCB > DCB-G for Cu(II) and phosphate. Drying leading to contraction of bead significantly reduced adsorption rate due to reduce the porosity of chitosan. In addition, crosslingking also negatively effect on adsorption rate. When compared with Cu(II) using hydrogel bead, phosphate showed higher value than Cu(II) for PFO and PSO. The application of ID showed that both hydrogel beads (HCB and HCB-G) obtained a very low R2 ranging to 0.37 to 0.81, while R2 can be obtained to over 0.9 for DCB and DCB-G, indicting ID is appropriate for low adsorption rate.

The present work reports the effect of different functionalization methodologies on surface modification of porous carbon and its efficacy for benzene adsorption. The virgin and surface-modified adsorbents were characterized by FTIR, N2 sorption analysis, SEM, and Boehm titration. The adsorption isotherms were measured at different temperatures using a highly sensitive magnetic suspension microbalance. At lower benzene concentration, the virgin carbon was found to possess reasonable adsorption capacity, while at higher benzene concentration, the surface-modified carbon tends to perform better. The maximum benzene adsorption capacity at 25 °C and vapor pressure of 90 mbar is as follows: 467 mg/g (NORIT-AC), 227 mg/g (AC-APS (1 M)), 388 mg/g (Norit-AC-HT), 492 mg/g (AC-HNO3), and 531 mg/g (AC-H2SO4).