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.

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.

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.

Pore structure of low‑permeability coal and its deformation characteristics during the adsorption–desorption of CH4/N2

The pore structure of coal plays a key role in controlling the storage and migration of CH4/N2.The pore structure of coal is an important indicator to measure the gas extraction capability and the gas displacement efect of N2 injection.The deformation characteristic of coal during adsorption–desorption of CH4/N2 is an important factor afecting CH4 pumpability and N2 injectability.The pore structure characteristics of low-permeability coal were obtained by fuid intrusion method and photoelectric radiation technology.The multistage and connectivity of coal pores were analyzed.Subsequently,a simultaneous test experiment of CH4/N2 adsorption–desorption and coal deformation was carried out.The deformation characteristics of coal were clarifed and a coal strain model was constructed.Finally,the applicability of low-permeability coal to N2 injection for CH4 displacement technology was investigated.The results show that the micropores and transition pores of coal samples are relatively developed.The pore morphology of coal is dominated by semi-open pores.The pore structure of coal is highly complex and heterogeneous.Transition pores,mesopores and macropores of coal have good connectivity,while micropores have poor connectivity.Under constant triaxial stress,the adsorption capacity of the coal for CH4 is greater than that for N2,and the deformation capacity of the coal for CH4 adsorption is greater than that for N2 adsorption.The axial strain,circumferential strain,and volumetric strain during the entire process of CH4 and N2 adsorption/desorption in the coal can be divided into three stages.Coal adsorption–desorption deformation has the characteristics of anisotropy and gas-diference.A strain model for the adsorption–desorption of CH4/N2 from coal was established by considering the expansion stress of adsorbed gas on the coal matrix,the compression stress of free gas on the coal matrix,and the expansion stress of free gas on micropore fractures.N2 has good injectability in low-permeability coal seams and has the dual functions of improving coal seam permeability and enhancing gas fow,which can signifcantly improve the efectiveness of low-permeability coal seam gas control and promote the efcient utilization of gas resources.

Experimental and Numerical Research on Water Transport during Adsorption and Desorption in Cement-Based Materials

The durability of cement-based materials is related to water transport and storage in their pore network under different humidity conditions.To understand the mechanism and characteristics of water adsorption and desorption processes from the microscopic scale,this study introduces different points of view for the pore space model generation and numerical simulation of water transport by considering the“ink-bottle”effect.On the basis of the pore structure parameters(i.e.,pore size distribution and porosity)of cement paste and mortar with water-binder ratios of 0.3,0.4 and 0.5 obtained via mercury intrusion porosimetry,randomly formed 3D pore space models are generated using two-phase transformation on Gaussian random fields and verified via image analysis method of mathematical morphology.Considering the Kelvin-Laplace equation and the influence of“ink-bottle”pores,two numerical calculation scenarios based on mathematical morphology are proposed and applied to the generated model to simulate the adsorption-desorption process.The simulated adsorption and desorption curves are close to those of the experiment,verifying the effectiveness of the developed model and methods.The obtained results characterize water transport in cement-based materials during the variation of relative humidity and further explain the hysteresis effect due to“ink-bottle”pores from the microscopic scale.

Study of the Temperature-Programmed Desorption of Carbon Dioxide (CO2) on Zeolites X Modified with Bivalent Cations

Study of physisorbed and chemisorbed carbon dioxide (CO2) species was carried out on the NaX zeolite modified by cationic exchanges with bivalent cations (Ca2+ and Ba2+) by temperature-programmed desorption of CO2 (CO2-TPD). Others results were obtained by infrared to complete the study. The results of this research showed, in the physisorption region (213 - 473 K), that the cationic exchanges on NaX zeolite with bivalent cations increase slightly the interactions of CO2 molecule with adsorbents and/or cationic site. Indeed, the desorption energies of physisorbed CO2 obtained on the reference zeolite NaX (13.5 kJ·mol-1) are lower than that of exchanged zeolites E-CaX and E-BaX (15.77 and 15.17 kJ·mol-1 respectively). In the chemisorbed CO2 region (573 - 873 K), the desorption energies related to desorbed species (bidentate carbonates: CO32-) on the exchanged zeolites E-CaX and E-BaX are about 81 kJ·mol-1, higher than the desorbed species (bicarbonates: HCO32-) on the reference R-NaX (62 kJ·mol-1). In addition, the exchanged E-BaX zeolite develops the secondary adsorption sites corresponding to bicarbonates species with desorption energies of 35 kJ·mol-1 lower to desorption energies of bicarbonates noted on the reference zeolite NaX.

Desorption of Methylene Blue Adsorbed on Activated Carbon from Cocoa Pod Shell

Environmental protection has become a concern for the world. For this reason, the objective of this work is to remove methylene blue adsorbed on activated carbon. The coal used comes from cocoa pod shells. Before pyrolysis, the shells were ground, sieved and impregnated with orthophosphoric acid. Before desorption, the activated carbons were initially saturated with MB. These saturated coals were brought into contact with a sodium chloride (NaCl) solution and then stirred. The evolution of the resorbed MB concentration was monitored by spectrophotometry. The desorption tests showed a remarkable elimination from the first 10 minutes. The desorption kinetics comprises two phases: a rapid kinetics between 0 and 30 minutes and a slow kinetics between 30 and 60 minutes. The desorption of the dye reaches a concentration aqual to 0.84 mg/l at pH = 4 at temperature = 80°C. For modeling, the coefficient of the Langmuir II model is greater than or equal to O.9893. The model of Langmuir III is less than or equal to 0.9373. The Freundlich model coefficient is 0.9842 or less. The desorption is thefore carried out on energy-homogeneous adsorption sites and without any interaction between the adsorbed cations of the dye. Experimental parameters such as pH, temperature and concentration of sodium chloride (NaCl) solution influence the desorption of MB. And the model of Langmuir II describes well the process of desorption of the MB.

Research on Reliability of Desorption Indexes of Drilling Cuttings(K_(1)andΔh_(2)):A Case-Based on Pingdingshan Mining Region,China

To accurately predict the risk of coal and gas outburst and evaluate the reliability of desorption indexes of drilling cuttings(K_(1) andΔh_(2))in No.16 coal seam of Pingmei No.12 coal mine,two sets of coal samples were selected from the target coal seams for proximate analyses,methane adsorption/desorption tests,and desorption indexes of drilling cuttings tests.The results indicated that the desorption volume in the initial stage of desorption is large,and increases slowly in the later stage.The methane desorption volume of PMD1 and PMD2 coal samples accounts for 15.14%-18.09%and 15.72%-18.17%respectively in the first 1 min,and 43.92%-48.55%and 41.87%-52.25%respectively in the first 10 min in the 120 min desorption tests.Both K_(1) andΔh_(2) present power function relationships with methane pressure.Similarly,the power function relationships also can be found between the initial desorption characteristics(Q1 and Q4-5)and the methane pressure.Finally,the average relative error between the measured value and the calculated value of Q1 based on K_(1) is less than that of Q4-5 based onΔh_(2),which indicates that K_(1) is a more reliable index thanΔh_(2) to predict the risk of coal and gas outburst in the No.16 coal seam of Pingmei No.12 coal mine.

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%.

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.

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...

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.

Kinetics of the hydrogen absorption and desorption processes of hydrogen storage alloys: A review

High hydrogen absorption and desorption rates are two significant index parameters for the applications of hydrogen storage tanks.The analysis of the hydrogen absorption and desorption behavior using the isothermal kinetic models is an efficient way to investigate the kinetic mechanism.Multitudinous kinetic models have been developed to describe the kinetic process.However,these kinetic models were de-duced based on some assumptions and only appropriate for specific kinetic measurement methods and rate-controlling steps(RCSs),which sometimes lead to confusion during application.The kinetic analysis procedures using these kinetic models,as well as the key kinetic parameters,are unclear for many researchers who are unfamiliar with this field.These problems will prevent the kinetic models and their analysis methods from revealing the kinetic mechanism of hydrogen storage alloys.Thus,this review mainly focuses on the summarization of kinetic models based on different kinetic measurement methods and RCSs for the chemisorption,surface penetration,diffusion of hydrogen,nucleation and growth,and chemical reaction processes.The analysis procedures of kinetic experimental data are expounded,as well as the effects of temperature,hydrogen pressure,and particle radius.The applications of the kinetic models for different hydrogen storage alloys are also introduced.

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-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.

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.

Time-dependent categorization of volatile aroma compound formation in stewed Chinese spicy beef using electron nose profile coupled with thermal desorption GC–MS detection

In the present study,flavor profiles of Chinese spiced beef in the cooking process were comparatively analyzed by electronic nose,gas chromatography–mass spectrometry(GC–MS)with a thermal desorption system(TDS),and solid-phase microextraction(SPME).A total of 82 volatile compounds were identified,and 3-methyl-butanal,pentanal,hexanal,-xylene,heptanal,limonene,terpinene,octanal,linalool,4-terpinenol,-terpineol,and(E)-anethole were identified as the characteristic flavor compounds in Chinese spiced beef.Variation in the content of volatile components produced by different cooking processes was observed.In general,a cooking time of 4 h resulted in optimal flavor quality and stability.Results indicated that the electronic nose could profile and rapidly distinguish variation among different cooking time.The volatile profiling by TDS-GC–MS and responses from the electronic nose,in combination with multivariate statistical analysis,are a promising tool for control the cooking process of spiced beef.

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.

Oxygen adsorption/desorption behavior of YBaCo4O7+δ and its application to oxygen removal from nitrogen

A new medium-temperature (200-400 °C) adsorbent material for oxygen removal and air separation, YBaCo4O7+δ, was prepared by the solid-state reaction method. This new adsorbent could adsorb a large quantity of oxygen in the temperature range of 200-370 °C. Adsorbed oxygen could be released by raising temperature over 400 °C or by switching the atmosphere from oxygen to nitrogen. This oxygen adsorption and desorption process had good reproducibility. Taking advantage of this unique oxygen intake/release behavior, a nitrogen purification process was investigated. The results showed that YBaCo4O7+δ material was a promising candidate for the oxygen sorption process and could be used to produce high-purity nitrogen or to remove trace oxygen from other gases.

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.