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.

Systematic investigation of SO_(2) adsorption and desorption by porous powdered activated coke:Interaction between adsorption temperature and desorption energy consumption

Porous carbon materials have been widely used for the removal of SO_(2) from flue gas.The main objective of this work is to clarify the effects of adsorption temperature on SO_(2) adsorption and desorption energy consumption.Coal-based porous powdered activated coke(PPAC)prepared in the drop-tube reactor was used in this study.The N_(2) adsorption measurements and Fourier transform infrared spectrometer analysis show that PPAC exhibits a developed pore structure and rich functional groups.The experimental results show that with a decrease in adsorption temperature in the range of 50–150℃,the adsorption capacity of SO_(2) increases linearly;meanwhile,the adsorption capacity of H_(2)O increases,resulting in the increase in desorption energy consumption per unit mass of adsorbent.The processes of SO_(2) and H_(2)O desorption were determined by the temperature-programmed desorption test,and the desorption energies for each species were calculated.Considering the energy consumption per unit of desorption and the total amount of adsorbent,the optimal adsorption temperature yielding the minimum total energy consumption of regeneration is calculated.This study systematically demonstrates the effect of adsorption temperature on the adsorption–desorption process,providing a basis for energy saving and emission reduction in desulfurization system design.

Integrated System for the Rapid Polycyclic Aromatic Hydrocarbons Extraction from Aqueous Samples and Their Consecutive Thermal Desorption Prior to Gas Chromatography Analysis

This paper describes for the first time the extraction followed by thermal desorption of polycyclic aromatic hydrocarbons (PAHs) spiked water samples in a microfluidic silicon device. Thanks to the integration into an original system composed of a micropump, microvalves, and an optimized thermal management, the entire protocol is automated and combines the extraction, the drying and the desorption in less than 25 min before sending the sample to a GC-FID system. Repeatable recovery yields have been determined for 1 μg/L spiked water samples and the analysis of PAHs in a natural water spiked sample has been demonstrated without loss of performance compared to purified water samples. Compared to other extraction techniques, this system has the advantage of reduced footprint, reduced energy consumption and no solvent use.

Combination of a reaction cell and an ultra-high vacuum system for the in situ preparation and characterization of a model catalyst

An in-depth understanding of the structure-activity relationship between the surface structure,chemical composition,adsorption and desorption of molecules,and their reaction activity and selectivity is necessary for the rational design of high-performance catalysts.Herein,we present a method for studying catalytic mechanisms using a combination of in situ reaction cells and surface science techniques.The proposed system consists of four parts:preparation chamber,temperatureprogrammed desorption(TPD)chamber,quick load-lock chamber,and in situ reaction cell.The preparation chamber was equipped with setups based on the surface science techniques used for standard sample preparation and characterization,including an Ar+sputter gun,Auger electron spectrometer,and a low-energy electron diffractometer.After a well-defined model catalyst was prepared,the sample was transferred to a TPD chamber to investigate the adsorption and desorption of the probe molecule,or to the reaction cell,to measure the catalytic activity.A thermal desorption experiment for methanol on a clean Cu(111)surface was conducted to demonstrate the functionality of the preparation and TPD chambers.Moreover,the repeatability of the in situ reaction cell experiment was verified by CO_(2) hydrogenation on the Ni(110)surface.At a reaction pressure of 800 Torr at 673 K,turnover frequencies for the methanation reaction and reverse water-gas shift reaction were 0.15 and 7.55 Ni atom^(-1) s^(-1),respectively.

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.

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.

Hydrogen release of NaBH_(4) below 60 ℃ with binary eutectic mixture of xylitol and erythritol additive

NaBH_(4) was widely regarded as a low-cost hydrogen storage material due to its high-mass hydrogen capacity of approximately 10.8%(mass)and high volumetric hydrogen capacity of around 115 g·L^(–1).However,it exhibits strong stability and requires temperatures above 500℃ for hydrogen release in practical applications.In this study,two polyhydric alcohols,xylitol and erythritol(XE),were prepared as a binary eutectic sugar alcohol through a grinding-melting method.This binary eutectic sugar alcohol was used as a proton-hydrogen carrier to destabilize NaBH_(4).The 19NaBH_(4)-16XE composite material prepared by ball milling could start releasing hydrogen at 57.5℃,and the total hydrogen release can reach over 88.8%(4.45%(mass))of the theoretical capacity.When the 19NaBH_(4)-16XE composite was pressed into solid blocks,the volumetric hydrogen capacity of the block-shaped composite could reach 67.2 g·L^(–1).By controlling the temperature,the hydrogen desorption capacity of the NaBH_(4)-XE composite material was controllable,which has great potential for achieving solid-state hydrogen production from NaBH_(4).

Insights into carbon dioxide sequestration into coal seams through coupled gas flow-adsorption-deformation modelling

Injecting carbon dioxide(CO_(2))into coal seams may unlock substantial carbon sequestration potential.Since the coal acts like a carbon filter,it can preferentially absorb significant amounts of CO_(2).To explore this further,desorption of the adsorbed gas due to pressure drop is investigated in this paper,to achieve an improved understanding of the long-term fate of injected CO_(2) during post-injection period.This paper presents a dual porosity model coupling gas flow,adsorption and geomechanics for studying coupled processes and effectiveness of CO_(2) sequestration in coals.A new adsorption?desorption model derived based on thermodynamics is incorporated,particularly,the desorption hysteresis is considered.The reliability of the proposed adsorption-desorption isotherm is examined via validation tests.It is indicated that occurrence of desorption hysteresis is attributed to the adsorption-induced pore deformation.After injection ceases,the injected gas continues to propagate further from the injection well,while the pressure in the vicinity of the injection well experiences a significant drop.Although the adsorbed gas near the well also decreases,this decrease is less compared to that in pressure because of desorption hysteresis.The unceasing spread of CO_(2) and drops of pressure and adsorbed gas depend on the degree of desorption hysteresis and heterogeneity of coals,which should be considered when designing CO_(2) sequestration into coal seams.

Understanding the dehydrogenation properties of Mg(0001)/MgH_(2)(110)interface from first principles

Magnesium hydride is one of the most promising solid-state hydrogen storage materials for on-board application.Hydrogen desorption from MgH_(2) is accompanied by the formation of the Mg/MgH_(2) interfaces,which may play a key role in the further dehydrogenation process.In this work,first-principles calculations have been used to understand the dehydrogenation properties of the Mg(0001)/MgH_(2)(110) interface.It is found that the Mg(0001)/MgH_(2)(110) interface can weaken the Mg-H bond.The removal energies for hydrogen atoms in the interface zone are significantly lower compared to those of bulk MgH_(2).In terms of H mobility,hydrogen diffusion within the interface as well as into the Mg matrix is considered.The calculated energy barriers reveal that the migration of hydrogen atoms in the interface zone is easier than that in the bulk MgH_(2).Based on the hydrogen removal energies and diffusion barriers,we conclude that the formation of the Mg(0001)/MgH_(2)(110) interface facilitates the dehydrogenation process of magnesium hydride.

The Effectiveness of the Continuous and Cyclic Method on CO2-ECBM

This study examines the impact of different CO2 injection methods on coalbed methane recovery. Specifically, this study investigated the effectiveness of continuously injecting CO2 versus injecting CO2 that had been soaked for two weeks. The objective was to ascertain which approach was more successful in enhancing CO2 Enhanced coalbed Methane (CO2-ECBM). The experiment involved injecting 3 MPa of CH4 into dry coal samples, allowing it to adsorb until reaching equilibrium, and then injecting 5 MPa of CO2 to recover adsorbed CH4. The continuous method recovered CH4 without detectable effluent concentration for 5 hours, but desorption efficiency was only 26% due to fast flow. On the other hand, the desorption efficiency of the cyclic method was only 12%, indicating trapped CH4. A comparison of desorption efficiency per unit of time shows the continuous method is more effective than the cyclic method. The results of this study demonstrate the continuous method is more effective for the desorption of CH4, and its efficiency can be improved by briefly soaking CO2 on coal and then reinjecting it to maximize CH4 recovery. It is advisable to limit the soaking time to prevent excessive swelling of the coal matrix, which can hinder seam flow and harm long-term gas production.

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.