Quantum Tunneling Enhanced Hydrogen Desorption from Graphene Surface: Atomic versus Molecular Mechanism

We study the desorption mechanism of hydrogen isotopes from graphene surface using first-principles calculations,with focus on the effects of quantum tunneling.At low temperatures,quantum tunneling plays a dominant role in the desorption process of both hydrogen monomers and dimers.In the case of dimer desorption,two types of mechanisms,namely the traditional one-step desorption in the form of molecules(molecular mechanism),and the two-step desorption in the form of individual atoms(atomic mechanism),are studied and compared.For the ortho-dimers,the dominant desorption mechanism is found to switch from the molecular mechanism to the atomic mechanism above a critical temperature,which is∼300K and 200K for H and D,respectively.

Efficient desorption and reuse of collector from the flotation concentrate:A case study of scheelite

Flotation is the most common method to obtain concentrate through the selective adsorption of collectors on target minerals to make them hydrophobic and floatable.In the hydrometallurgy of concentrate,collectors adsorbed on concentrate can damage ion-exchange resin and increase the chemical oxygen demand(COD)value of wastewater.In this work,we proposed a new scheme,i.e.,desorbing the collectors from concentrate in ore dressing plant and reusing them in flotation flowsheet.Lead nitrate and benzohydroxamic acid(Pb-BHA)complex is a common collector in scheelite flotation.In this study,different physical(stirring or ultrasonic waves)and chemical(strong acid or alkali environment)methods for facilitating the desorption of Pb-BHA collector from scheelite concentrate were explored.Single-mineral desorption tests showed that under the condition of pulp pH 13 and ultrasonic treatment for 15 min,the highest desorption rates of Pb and BHA from the scheelite concentrate were 90.48%and 63.75%,respectively.Run-of-mine ore flotation tests revealed that the reuse of desorbed Pb and BHA reduced the collector dosage by 30%for BHA and 25%for Pb.The strong alkali environment broke the chemical bonds between Pb and BHA.The cavitation effect of ultrasonic waves effectively reduced the interaction intensity between Pb-BHA collector and scheelite surfaces.This method combining ultrasonic waves and strong alkali environment can effectively desorb the collectors from concentrate and provide“clean”scheelite concentrate for metallurgic plants;the reuse of desorbed collector in flotation flowsheet can reduce reagent cost for ore dressing plants.

Effects of Different Concentrations of Sulfate Ions on Carbonate Crude Oil Desorption:Experimental Analysis and Molecular Simulation

Low salinity water containing sulfate ions can significantly alter the surface wettability of carbonate rocks.Nevertheless,the impact of sulfate concentration on the desorption of oil film on the surface of carbonate rock is still unknown.This study examines the variations in the wettability of the surface of carbonate rocks in solutions containing varying amounts of sodium sulfate and pure water.The problem is addressed in the framework of molecular dynamics simulation(Material Studio software)and experiments.The experiment’s findings demonstrate that sodium sulfate can increase the rate at which oil moisture is turned into water moisture.The final contact angle is smaller than that of pure water.The results of the simulations show that many water molecules travel down the water channel under the influence of several powerful forces,including the electrostatic force,the van der Waals force and hydrogen bond,crowding out the oil molecules on the calcite’s surface and causing the oil film to separate.The relative concentration curve of water and oil molecules indicates that the separation rate of the oil film on the surface of calcite increases with the number of sulfate ions.

Accelerating H^(*)desorption of hollow Mo_(2)C nanoreactor via in-situ grown carbon dots for electrocatalytic hydrogen evolution

Molybdenum carbide(Mo_(2)C)is a promising non-noble metal electrocatalyst with electronic structures similar to Pt for hydrogen evolution reaction(HER).However,strong H^(*)adsorption at the Mo sites hinders the improvement of HER performance.Here,we synthesized monodisperse hollow Mo_(2)C nanoreactors,in which the carbon dots(CD)were in situ formed onto the surface of Mo_(2)C through carburization reactions.According to finite element simulation and analysis,the CD@Mo_(2)C possesses better mesoscale diffusion properties than Mo_(2)C alone.The optimized CD@Mo_(2)C nanoreactor demonstrates superior HER performance in alkaline electrolyte with a low overpotential of 57 mV at 10 mA cm^(−2),which is better than most Mo_(2)C-based electrocatalysts.Moreover,CD@Mo_(2)C exhibits excellent electrochemical stability during 240 h,confirmed by operando Raman and X-ray diffraction(XRD).Density functional theory(DFT)calculations show that carbon dots cause the d-band center of CD@Mo_(2)C to shift away from Fermi level,promoting water dissociation and the desorption of H^(*).This study provides a reasonable strategy towards high-activity Mo-based HER eletrocatalysts by modulating the strength of Mo–H bonds.

Study on the Effects of Polyacrylamide on Phosphorus Adsorption and Desorption Characteristics of Soil Aggregates

[Objective]The research aimed to provide scientific reference for reasonable utilization of polyacrylamide(PAM).[Method]After PAM treatment,the soil aggregates were classified through dry sieve analysis and the adsorption capacity and desorption capacity of all soil aggregates to phosphorus at different phosphorus concentrations were analyzed.[Result] The phosphorus adsorption and desorption of soil sample treated by PAM declined. The amount of phosphorus adsorption increased with the increase of phosphorus concentration and this increase was fast in low phosphorus concentration area but slow in high phosphorus concentration area.At different phosphorus concentrations,adsorption showed a へ shape changing trend.The phosphorus adsorption was related to phosphorus concentration and the 2-3 mm aggregate had the highest desorption rate while 0.1-0.25 mm aggregate and 0.45-1 mm aggregate had lowest desorption rate.[Conclusion]The PAM treatment generated significant influence on phosphorus adsorption and analytic features of aggregate in all size fractions.

Effect of shaking time, ionic strength, temperature and pH value on desorption of Cr(III) adsorbed onto GMZ bentonite

The Cr（III） desorption experiments of Gaomiaozi （GMZ） bentonite in aqueous solutions were performed. The variables affecting the desorption behaviors, such as contact time, concentration of the desorbent, pH value of the solution, temperature and desorption isotherms, were investigated by the batch experiments. The results show that the adsorbed Cr（III） on GMZ bentonite can be easily extracted by the desorbent. Kinetics examination shows that desorption is slower than adsorption, and the desorption rate increases with time and reaches the equilibrium after 3 h. The final desorption ratios of Cr（III） are 89.4%, 56.5%and 77.2%in the desorption solution with 0.1 mol/L HCl, 1 mol/L NaCl, and 1 mol/L CaCl2, respectively, and the concentration can promote the desorption progress. Furthermore, the results of successive regeneration cycles indicate that the bentonite has a good regeneration ability and reusability. The pH value is an important factor in the Cr（III） desorption from the GMZ bentonite. The results of adsorption and desorption isotherms show that both adsorption and desorption isotherms are consistent with the Freundlich equation. The comparison of adsorption and desorption isotherms implies that the adsorption/desorption hysteresis is negligible and the transport of Cr（III） in bentonite can be described by a reversible adsorption process.

Study on Enhancement of PCBs Desorption in Soil by Surfactants

[Objective]The aim of this paper was to provide theoretical basis for study on enhancement of surfactants to desorption of PCBs from soil. [Method]The desorption effects of surfactants SDBs,Tween 80,HTAB on PCBs were studied as well as their distribution in water and soil. Effects of rationing on desorption of PCBs were also analyzed. [Result]The potential of single surfactant to enhance the desorption of PCBs from soil in order was Tween 80 SDBS HTAB. Three surfactants were largely adsorbed on soil and the sorption followed HTABTween 80SDBS. The desorption of PCBs increased significantly and linearly with the increase of aqueous micelle concentration of surfactants. [Conclusion]Enhancing effect of three surfactants on PCBs desorption were obtained,which will provide theoretical basis for further analyzing.

Hydrogen desorption kinetics mechanism of Mg-Ni hydride under isothermal and non-isothermal conditions

The Mg-Ni hydride was prepared by hydriding combustion synthesis under a high magnetic field. The dehydriding kinetics of the hydrides was measured under the isothermal and non-isothermal conditions. A model was applied to analyzing the kinetics behavior of Mg-Ni hydride. The calculation results show that the theoretical value and the experimental data can reach a good agreement, especially in the case of non-isothermal dehydriding. The rate-controlling step is the diffusion of hydrogen atoms in the solid solution. The sample prepared under magnetic field of 6 T under the isothermal condition can reach the best performance. The similar tendency was observed under the non-isothermal condition and the reason was discussed.

Influence Factors on Particle Growth for On-line Aerosol Matrix-assisted Laser Desorption/Ionization Time-of-flight Mass Spectrometry

An evaporation/condensation flow cell was developed and interfaced with the matrix-assisted laser desorption/ionization （MALDI） time-of-flight mass spectrometer for on-line bioaerosol detection and characterization, which allows matrix addition by condensation onto the laboratory-generated bioaerosol particles. The final coated particle exiting from the con- denser is then introduced into the aerodynamic particle sizer spectrometer or home-built aerosol laser time-of-flight mass spectrometer, and its aerodynamic size directly effects on the matrix-to-analyte molar ratio, which is very important for MALDI technique. In order to observe the protonated analyte molecular ion, and then determine the classification of bi- ological aerosols, the matrix-to-analyte molar ratio must be appropriate. Four experimental parameters, including the temperature of the heated reservoir, the initial particle size, its number concentration, and the matrix material, were tested experimentally to analyze their influences on the final particle size. This technique represents an on-line system of detection that has the potential to provide rapid and reliable identification of airborne biological aerosols.

Adsorption and Desorption Characteristics of Cadmium and Lead in Typical Paddy Soils of Jiangxi Province and Its Environmental Risk Assessment

[Objective] This study aimed to investigate the adsorption and desorption characteristics of cadmium and lead in typical paddy soils of Jiangxi Province. [Method] Gleyed paddy soil and waterloggogenic paddy soil were collected from Jiangxi Province and used as experimental materials to investigate single and com- petitive adsorption and desorption behaviors of cadmium and lead by batch equilib- rium method. The environmental risk of the presence of cadmium and lead in paddy soils was assessed using distribution coefficients. [Result] Under equal ratio condi- tions, the adsorption capacity of lead by two types of paddy soils was higher than that of cadmium, and the adsorption rate in waterloggogenic paddy soil was higher than that in gleyed paddy soil. The desorption capacity of cadmium by two types of paddy soils was higher than that of lead, and the desorption rate in gleyed paddy soil was higher than that in waterloggogenic paddy soil. Under competitive condi- tions, the adsorption capacity of cadmium and lead by paddy soils was significantly reduced compared with single ion system, while the desorption rate was remarkably improved. The potential environmental risk of cadmium contamination was greater than that of lead in paddy soils. Moreover, environmental risks of cadmium and lead were reduced with the increase of pH, which increased significantly under the coex- istence state. [Conclusion] In the coexistence of cadmium and lead, cadmium con- tamination should be controlled and avoided compared with lead contamination in paddy soils.

Adsorption and Desorption of Natural Zeolite on NH_4^+

The adsorption and desorption kinetic of natural zeolite on NH4＋ was stud-ied by lab analysis. The results showed that the adsorption and desorption kinetic of natural zeolite on NH4＋ coincided with the first-order kinetics, modified Freundlich equation, parabolic diffusion model, and heterogeneous diffusion model. The desorp-tion of the adsorbed NH4＋ was far rapider than the adsorption, which can be fin-ished within 60 min.

Adsorption/desorption behavior between a novel amphoteric granular lignin adsorbent and reactive red K-3B in aqueous solutions

A novel amphoteric granular lignin adsorbent(AGLA) was prepared using magnesium lignosulfonate as a raw material which was provided by a straw sulfite pulp mill in Guangdong Province, China. A reactive dye(red K-3B) was used as an adsorbate to investigate the adsorption behavior by static and mobile ways. The removal of reactive red K-3B was found to be initially pH and concentration dependent. Moreover, an increase of solution temperature ranging from 5℃ to 60℃ helped to enhance the rate of intraparticle diffusion of adsorbate and changes in the size of the pores of the adsorbent and thus to reduce the adsorption time. The total breakthrough adsorption capacity was 531 mg/g, and the saturated adsorption capacity was 560 mg/g, which prevailed over the activated carbons evidently. The reactive red K-3B adsorbed on AGLA could be recovered with a mixture of alcohol, NaCl and HCl aqueous solutions. The recovery percentage could reach 92.4%.

Effect of dissolved organic matter on adsorption and desorption of mercury by soils

Effects of dissolved organic matter (DOM) on adsorption and desorption of Hg were investigated in two kinds of soils, Xanthi-Udic Ferralosols (XUF) and Typic Purpli-Udic Cambosols (TPUC). The DOM was obtained from humus soil (DOMH), rice straw (DOMR), and pig manure (DOMP). The presence of DOM obviously reduced Hg maximum adsorption capacity with up to 40% decreases over the control, being an order of DOMH (250.00 mg/kg)< DOMR (303.03 mg/kg) < DOMP (322.58 mg/kg) < CK (control 416.67 mg/kg) for the...

Effect of temperature on the sorption and desorption of perfluorooctane sulfonate on humic acid

Sorption and desorption of perfluorooctane sulfonate （PFOS） on humic acid at different temperatures were studied. It was found that the sorption process could be modeled with power kinetic equation very well, suggesting that diflusion predominated the sorption of PFOS on the humic acid. The sorption capacity was doubled when the temperature increased from 5 to 35°C, and thermodynamics parameters △G0 was calculated to be –7.11 to –5.04 kJ/mol, △H0 was 14.2 kJ/mol, and △S 0 was 69.5 J/（mol·K）, indicating that the sorption was a spontaneous, endothermic, and entropy driven process. Desorption hysteresis occurred at all studied temperatures which suggested that humic acid may be an important sink of PFOS in the environment.

Adsorption and desorption of Cu(Ⅱ) and Pb(Ⅱ) in paddy soils cultivated for various years in the subtropical China

The adsorption and desorption of Cu（Ⅱ） and Pb（Ⅱ） on upland red soil,and paddy soils which were originated from the upland soil and cultivated for 8,15,35 and 85 years,were investigated using the batch method.The study showed that the organic matter content and cation exchange capacity （CEC） of the soils are important factors controlling the adsorption and desorption of Cu（Ⅱ） and Pb（Ⅱ）.The 15-Year paddy soil had the highest adsorption capacity for Pb（Ⅱ）,followed by the 35-Year paddy soil.Both the 35-Year paddy soil and 15-Year paddy soil adsorbed more Cu（Ⅱ） than the upland soil and other paddy soils.The 15-Year paddy soils exhibited the highest desorption percentage for both Cu（Ⅱ） and Pb（Ⅱ）.These results are consistent with the trend for the CEC of the soils tested.The high soil CEC contributes not only to the adsorption of Cu（Ⅱ） and Pb（Ⅱ） but also to the electrostatic adsorption of the two heavy metals by the soils.Lower desorption percentages for Cu（Ⅱ） （36.7% to 42.2%） and Pb（Ⅱ） （50.4% to 57.9%） were observed for the 85-Year paddy soil.The highest content of organic matter in the soil was responsible for the low desorption percentages for the two metals because the formation of the complexes between the organic matter and the metals could increase the stability of the heavy metals in the soils.

Effects of maize root exudates and organic acids on the desorption of phenanthrene from soils

The effects of maize root exudates and low-molecular-weight-organic anions （LMWOAs） on the desorption of phenanthrene from eight artificially contaminated soils were evaluated. A significant negative correlation was observed between the amounts of phenanthrene desorbed and the soil organic carbon （SOC） contents （P 〈 0.01）, and the influences of soil pH and clay content on phenanthrene desorption were insignificant （P 〉 0.1）. Neither maize root exudates nor oxalate and citrate anions influenced desorption of phenanthrene with the addition of NaN3. A faster phenanthrene desorption occurred without the addition of NaN3 in the presence of maize root exudates than oxalate or citrate due to the enhanced degradation by root exudates. Without the addition of NAN3, oxalate or citrate at different concentrations could inhibit phenanthrene desorption to different extents and the inhibiting effect by citrate was more significant than by oxalate. This study leads to the conclusion that maize root exudates can not enhance the desorption under abiotic condition with the addition of NaN3 and can promote the desorption of phenanthrene in soils without the addition of NaN3.

Adsorption-desorption behavior of acetochlor to soils in the presence of some environmental substances

The behavior of herbicide acetochlor adsorption desorption to soil in the presence of humic acid (HA), anionic surfactant sodium dodecylbenzene sulfonate (SDBS), cationic surfactant hexadecyltrimethyl ammonium bromide (HDAB) and NH 4NO 3 as a chemical fertilizer was studied. Observed acetochlor adsorption isotherm were well described using Freundlich isotherm equation, from which the desorption isotherm equation has been deduced. The deduced equation can more directly describe acetochlor desorption process. The results showed that the enhance of acetochlor adsorption capacity by solid HA was greater than by soluble HA. The presence of NH 4NO 3 can slightly enhance acetochlor adsorption to soil by comparison with that measured in NH 4NO 3 free solution. In soil water system, surfactant acetochlor interaction is very complex, and the surfactant adsorptions as well as acetochlor adsorption need to be considered. When acetochlor soil suspensions contained lower concentration SDBS or HDAB (40 mg/L), K f for acetochlor adsorption was decreased in comparison to that measured in SDBS or HDAB free solution. When acetochlor soil suspensions contained higher concentration SDBS or HDAB (corresponding 1400 mg/L or 200 mg/L), K f for acetochlor adsorption was increased in comparison to that measured in SDBS or HDAB free solution.

Coalbed methane adsorption and desorption characteristics related to coal particle size

Effects of particle size on CH4 and CO2adsorption and desorption characteristics of coals are investigated at 308 K and pressures up to 5.0 MPa.The gas adsorption and desorption isotherms of coals with particle sizes ranging from 250 μm to 840 μm are measured via the volumetric method,and the Langmuir model is used to analyse the experimental results.Coal particle size is found to have an obvious effect on the coal pore structure.With the decrease of coal particle size in the process of grinding,the pore accessibility of the coal,including the specific surface area and pore volume,increases.Hence,coal with smaller particle size has higher specific surface area and higher pore volume.The ability of adsorption was highly related to the pore structure of coal,and coal particle size has a significant influence on coal adsorption/desorption characteristics,including adsorption capacity and desorption hysteresis for CH4 and CO2,i.e.,coal with a smaller particle size achieves higher adsorption capacity,while the sample with a larger particle size has lower adsorption capacity.Further,coal with larger particle size is also found to have relatively large desorption hysteresis.In addition,dynamic adsorption performances of the samples are carried out at 298 K and at pressures of 0.1 MPa and 0.5 MPa,respectively,and the results indicate that with the increase of particle size,the difference between CO2 and CH4adsorption capacities of the samples decreases.

Adsorption/desorption of toluene on a hypercrosslinked polymeric resin in a highly humid gas stream

In many sources of volatile organic compounds (VOCs), large amounts of water vapor come from the air and the reactors. The relative humidity (RH) of exhaust gas is normally >60% and is supersaturated. Maintaining the property of adsorbent on VOCs in a highly humid gas stream is a serious industrial problem. In this study, the adsorption/desorption behavior of toluene in a micro-mesoporous polymeric resin was investigated in a highly humid environment to explore the influence of abound water vapor on resin adsorption and regeneration. This resin could selectively adsorb toluene at an RH of 80%, and its adsorption property was unaffected by the presence of water vapor. In the case of humidity saturation, the resin displayed a high adsorption capacity at a moisture content of <30%. Therefore, the polymer resin is an excellent water-resistant adsorbent of VOCs. In the regenerative experiment, the resin maintained its original adsorption capability after four adsorption/ desorption cycles of toluene purging with nitrogen gas at 120℃. The resin exhibited excellent regeneration performance at high humidity.

NOx Reduction and Desorption Studies Under Electric Discharge Plasma Using a Simulated Gas Mixture:A Case Study on the Effect of Corona Electrodes

In this study, reduction and desorption of oxides of nitrogen （NOx） were conducted using an electrical discharge plasma technique. The study was carried out using a simulated gas mixture to explore the possibility of re-generation of used adsorbents by a nonthermal plasma desorption technique. Three different types of corona electrodes, namely, pipe, helical wire, and straight wire, were used for analyzing their effectiveness in NOx reduction/desorption. The pipe- type corona electrode exhibited a nitric oxide （NO） conversion of 50%, which is 1.5 times that of the straight-wire-type electrode at an energy density of 175 J/L. The helical-wire-type corona electrode exhibited a NOx desorption efficiency almost 4 times that of the pipe-type electrode, indicating the possibility that corona-generated species play a crucial role in desorption.