Adsorption behavior of CO_(2)/H_(2)S mixtures in calcite slit nanopores for CO_(2) storage:An insight from molecular perspective

It is acknowledged that injecting CO_(2) into oil reservoirs and saline aquifers for storage is a practical and affordable method for CO_(2) sequestration.Most CO_(2) produced from industrial exhaust contains impurity gases such as H_(2)S that might impact CO_(2) sequestration due to competitive adsorption.This study makes a commendable effort to explore the adsorption behavior of CO_(2)/H_(2)S mixtures in calcite slit nanopores.Grand Canonical Monte Carlo(GCMC)simulation is employed to reveal the adsorption of CO_(2),H_(2)S as well as their binary mixtures in calcite nanopores.Results show that the increase in pressure and temperature can promote and inhibit the adsorption capacity of CO_(2) and H_(2)S in calcite nanopores,respectively.CO_(2)exhibits stronger adsorption on calcite surface than H_(2)S.Electrostatic energy plays the dominating role in the adsorption behavior.Electrostatic energy accounts for 97.11%of the CO_(2)-calcite interaction energy and 56.33%of the H_(2)S-calcite interaction energy at 10 MPa and 323.15 K.The presence of H_(2)S inhibits the CO_(2) adsorption in calcite nanopores due to competitive adsorption,and a higher mole fraction of H_(2)S leads to less CO_(2) adsorption.The quantity of CO_(2) adsorbed is lessened by approximately 33%when the mole fraction of H_(2)S reaches 0.25.CO_(2) molecules preferentially occupy the regions near the po re wall and H_(2)S molecules tend to reside at the center of nanopore even when the molar ratio of CO_(2) is low,indicating that CO_(2) has an adsorption priority on the calcite surface over H_(2)S.In addition,moisture can weaken the adsorption of both CO_(2) and H_(2)S,while CO_(2) is more affected.More interestingly,we find that pure CO_(2) is more suitable to be sequestrated in the shallower formations,i.e.,500-1500 m,whereas CO_(2)with H_(2)S impurity should be settled in the deeper reservoirs.

Adsorption of Cu^(2+) from aqueous solution by modified biomass material

Cu2+ adsorption from simulated aqueous solution was investigated using a modified spent shiitake substrate (MSSS). The results showed that the MSSS has a high adsorption efficiency and removal performance. The Cu2+removal rate of the MSSS reached above 95%. Compared with spent shiitake substrate (SSS), the specific surface area, electronegativity and surface functional groups of the MSSS were all improved, resulting in a high adsorption capacity. The Cu2+ adsorption of MSSS reached equilibrium after 0.75 h and was an exothermic reaction. The SEM and EDS analyses of the MSSS before and after Cu2+ adsorption showed that the pores on the surface of the MSSS were occupied after adsorption and the Cu content increased but the Na content decreased.

Insights into SO_2 and H_2O co-adsorption on Cu(100) surface with calculations of density functional theory

The co-adsorption behaviors of SO2 and H2 O on face-centered cubic Cu（100） ideal surface were studied using the GGA-r PBE method of density functional theory（DFT） with slab models. The optimized structures of single H2 O and SO2 on Cu（100） surface were calculated at the coverage of 0.25 ML（molecular layer） and 0.5 ML. The results show that there was no obvious chemical adsorption of them on Cu（100） surface. The adsorbed structures, adsorption energy and electronic properties including difference charge density, valence charge density, Bader charge analysis and partial density of states（PDOS） of co-adsorbed structures of H2 O and SO2 were investigated to illustrate the interaction between adsorbates and surface. H2 O and SO2 can adsorb on surface of Cu atoms chemically via molecule form at the coverage of 0.25 ML, while H2 O dissociated into OH adsorbed on surface and H bonded with SO2 which keeps away from surface at the coverage of 0.5 ML.

金属二聚体和氮共掺杂石墨烯(Gra)M_(2)N_(6)-Gra(M=Cr-Cu)的NO_(2)吸附特性理论研究

NO_(2)是空气污染物的主要成分之一,设计和开发高效的气敏传感器对NO_(2)进行检测具有重要意义.本工作利用基于密度泛函理论(DFT)的第一性原理计算方法对不同过渡金属原子形成的金属二聚体和氮共掺杂石墨烯(Gra)M_(2)N_(6)-Gra(M=Cr-Cu)的NO_(2)吸附特性进行了研究.结果表明,NO_(2)分子与M_(2)N_(6)-Gra之间均存在明显的化学吸附作用.其中,Ni_(2)N_(6)-Gra和Cu_(2)N_(6)-Gra体系具备较为适中的恢复时间(分别约为5秒和14分钟),这意味着这两个体系是开发新型NO_(2)气敏材料的潜在候选者.其它体系(M_(2)N_(6)-Gra,M=Cr-Co)强的吸附作用导致恢复时间过长,从而使得它们不适合作为NO_(2)气敏材料.这一研究不仅有望为设计和开发性能优异的新型NO_(2)气敏材料提供有益理论指导,还将有益于人们深入认识M_(2)N_(6)-Gra材料的NO_(2)电催化合成NO或NH 3性能.

A functionalized activated carbon adsorbent prepared from waste amidoxime resin by modifying with H_(3)PO_(4) and ZnCl_(2) and its excellent Cr(Ⅵ)adsorption

With the application of resins in various fields, numerous waste resins that are difficult to treat have been produced. The industrial wastewater containing Cr(Ⅵ) has severely polluted soil and groundwater environments, thereby endangering human health. Therefore, in this paper, a novel functionalized mesoporous adsorbent PPR-Z was synthesized from waste amidoxime resin for adsorbing Cr(Ⅵ). The waste amidoxime resin was first modified with H3PO4 and ZnCl_(2), and subsequently, it was carbonized through slow thermal decomposition. The static adsorption of PPR-Z conforms to the pseudo-second-order kinetic model and Langmuir isotherm, indicating that the Cr(Ⅵ) adsorption by PPR-Z is mostly chemical adsorption and exhibits single-layer adsorption. The saturated adsorption capacity of the adsorbent for Cr(Ⅵ) could reach 255.86 mg/g. The adsorbent could effectively reduce Cr(Ⅵ) to Cr(Ⅲ) and decrease the toxicity of Cr(Ⅵ) during adsorption. PPR-Z exhibited Cr(Ⅵ) selectivity in electroplating wastewater. The main mechanisms involved in the Cr(Ⅵ) adsorption are the chemical reduction of Cr(Ⅵ) into Cr(Ⅲ) and electrostatic and coordination interactions. Preparation of PPR-Z not only solves the problem of waste resin treatment but also effectively controls Cr(Ⅵ) pollution and realizes the concept of “treating waste with waste”.

Mechanism study of Cu(Ⅱ) adsorption from acidic wastewater by ultrasonic-modified municipal solid waste incineration fly ash

High concentrations of copper ions(Cu(Ⅱ)) in water will pose health risks to humans and the ecological environment. Therefore, this study aims to utilize ultrasonic-cured modified municipal solid waste incineration(MSWI) fly ash for Cu(Ⅱ) adsorption to achieve the purpose of “treating waste by waste.” The effects of p H, adsorption time, initial concentration, and temperature on the modified MSWI fly ash’s adsorption efficiency were systematically studied in this article. The adsorption performance of the modified MSWI fly ash can be enhanced by the ultrasonic modification. At pH = 2, 3 and 4, the adsorption capacity of the modified MSWI fly ash for Cu(Ⅱ) increased by 2.7, 1.9 and 1.2 times, respectively. Furthermore, it was suggested that the adsorption process of the modified MSWI fly ash can be better simulated by the pseudo-second-order kinetic model, with a maximum adsorption capacity calculated by the Langmuir model of 24.196 mg.g-1. Additionally, the adsorption process is spontaneous,endothermic, and chemisorption-dominated from the thermodynamic studies(ΔH and ΔS > 0, ΔG < 0).Finally, the enhanced adsorption performance of the modified MSWI fly ash for Cu(Ⅱ) may be attributed to electrostatic interaction and chelation effects.

Fine quantitative characterization of high-H2S gas reservoirs under the influence of liquid sulfur deposition and adsorption

In order to clarify the influence of liquid sulfur deposition and adsorption to high-H2S gas reservoirs,three types of natural cores with typical carbonate pore structures were selected for high-temperature and high-pressure core displacement experiments.Fine quantitative characterization of the cores in three steady states(original,after sulfur injection,and after gas flooding)was carried out using the nuclear magnetic resonance(NMR)transverse relaxation time spectrum and imaging,X-ray computer tomography(CT)of full-diameter cores,basic physical property testing,and field emission scanning electron microscopy imaging.The loss of pore volume caused by sulfur deposition and adsorption mainly comes from the medium and large pores with sizes bigger than 1000μm.Liquid sulfur has a stronger adsorption and deposition ability in smaller pore spaces,and causes greater damage to reservoirs with poor original pore structures.The pore structure of the three types of carbonate reservoirs shows multiple fractal characteristics.The worse the pore structure,the greater the change of internal pore distribution caused by liquid sulfur deposition and adsorption,and the stronger the heterogeneity.Liquid sulfur deposition and adsorption change the pore size distribution,pore connectivity,and heterogeneity of the rock,which further changes the physical properties of the reservoir.After sulfur injection and gas flooding,the permeability of TypeⅠreservoirs with good physical properties decreased by 16%,and that of TypesⅡandⅢreservoirs with poor physical properties decreased by 90%or more,suggesting an extremely high damage.This indicates that the worse the initial physical properties,the greater the damage of liquid sulfur deposition and adsorption.Liquid sulfur is adsorbed and deposited in different types of pore space in the forms of flocculence,cobweb,or retinitis,causing different changes in the pore structure and physical property of the reservoir.

Study of the reaction mechanism for preparing powdered activated coke with SO_(2)adsorption capability via one-step rapid activation method under flue gas atmosphere

In this study,the impact of different reaction times on the preparation of powdered activated carbon(PAC)using a one-step rapid activation method under flue gas atmosphere is investigated,and the underlying reaction mechanism is summarized.Results indicate that the reaction process of this method can be divided into three stages:stage I is the rapid release of volatiles and the rapid consumption of O_(2),primarily occurring within a reaction time range of 0-0.5 s;stage II is mainly the continuous release and diffusion of volatiles,which is the carbonization and activation coupling reaction stage,and the carbonization process is the main in this stage.This stage mainly occurs at the reaction time range of 0.5 -2.0 s when SL-coal is used as material,and that is 0.5-3.0 s when JJ-coal is used as material;stage III is mainly the activation stage,during which activated components diffuse to both the surface and interior of particles.This stage mainly involves the reaction stage of CO_(2)and H2O(g)activation,and it mainly occurs at the reaction time range of 2.0-4.0 s when SL-coal is used as material,and that is 3.0-4.0 s when JJ-coal is used as material.Besides,the main function of the first two stages is to provide more diffusion channels and contact surfaces/activation sites for the diffusion and activation of the activated components in the third stage.Mastering the reaction mechanism would serve as a crucial reference and foundation for designing the structure,size of the reactor,and optimal positioning of the activator nozzle in PAC preparation.

Double plasma molecular adsorption system for Stevens–Johnson syndrome/toxic epidermal necrolysis:A case report

BACKGROUND Stevens–Johnson syndrome and toxic epidermal necrolysis(SJS/TEN)are very serious skin allergies,with an etiology related to infections and medication.Since the coronavirus disease 2019(COVID-19)pandemic,severe acute respiratory syndrome coronavirus-2 has also been considered to cause SJS/TEN.CASE SUMMARY We report the case of a woman in her thirties who took acetaminophen after contracting COVID-19.After 3 d of fever relief,she experienced high fever and presented with SJS/TEN symptoms,accompanied by intrahepatic cholestasis.Three days of corticosteroid treatment did not alleviate the skin damage;therefore,double plasma molecular adsorption system(DPMAS)therapy was initiated,with treatment intervals of 48 h.Her skin symptoms improved gradually and were resolved after seven DPMAS treatments.CONCLUSION DPMAS therapy is beneficial for abrogating SJS/TEN because plasma adsorption and perfusion techniques reduce the inflammatory mediators(e.g.,tumor necrosis factor-alpha and interleukin-10 and-12)speculated to be involved in the pathology of the skin conditions.

Estimation of Pore Size Distribution by CO_2 Adsorption and Its Application in Physical Activation of Precursors

The CO2 adsorption data may show more than one section in the Dubinin-Radushkevich-Kaganer(DRK) plot if samples had been over-activated. Each section in the plot represents a range of pore size. The whole DRK plot provided information on the pore size distribution(PSD) of a sample, which may be used to monitor the effect of activation conditions in activation processes.

Characteristic and mercury adsorption of activated carbon produced by CO_2 of chicken waste

Preparation of activated carbon from chicken waste is a promising way to produce a useful adsorbent for Hg removal. A three-stage activation process （drying at 200℃, pyrolysis in N2 atmosphere, followed by CO2 activation） was used for the production of activated samples. The effects of carbonization temperature （409-4500℃）, activation temperature （700-900℃）, and activation time （1-2.5 h） on the physicochemical properties （weight-loss and BET surface） of the prepared carbon wereinvestigated. Adsorptive removal of mercury from real flue gas onto activated carbon has been studied. The activated carbon from chicken waste has the same mercury capacity as commercial activated carbon （Darco LH） （Hg^v： 38.7% vs. 53.5%, Hg^0： 50.5% vs. 68.8%）, although its surface area is around 10 times smaller, 89.5 m^2/g vs. 862 m^2/g. The low cost activated carbon can be produced from chicken waste, and the procedure is suitable.

Removal of Pb^(2+) and Cd^(2+) by adsorption on clay-solidified grouting curtain for waste landfills

Pb2+ and Cd2+ in leachate were adsorbed on clay-solidified grouting curtain for waste landfills with equilibrium experiment. The cation exchange capacity was determined with ammonium acetate. And the concentration of heavy metal cations in leachate was determined with atomic absorption spectrophotometer. Their equilibrium isotherms were measured, and the experimental isotherm data were analyzed by using Freundlich and Langmuir models. The results show that the adsorption capacities of the heavy metal cations are closely related to the compositions of clay-solidified grouting curtain, and the maximum adsorption appears at the ratio of cement to clay of 2∶4 in the experimental conditions. At their maximum adsorption and pH 5.0, the adsorption capacities of Pb 2+ and Cd 2+ are 16.19mg/g and 1.21mg/g. The competitive adsorption coefficients indicate that the adsorption of clay-solidified grouting curtain for Pb2+ is stronger than that for Cd 2+ . The adsorption process conforms to Freundlich’s model with related coefficient higher than 0.996.

Interaction Between Charge Characteristics and Cu^(2+) Adsorption-Desorption of Soils with Variable or Permanent Charge

Charge characteristics and Cu2+ adsorption-desorption of soils with variable charge (latosol) and permanent charge (brown soil) and the relationship between them were studied by means of back-titration and adsorption equilibrium respectively. The amount of variable negative charge was much less in variable-charge soil than in permanent-charge soil and increased with the pH in the system, but the opposite trend occurred in the points of zero charge (PZCs). The amount of Cu2+ ions sorbed by permanent-charge soil was more than that by variable-charge soil and increased with the increase of Cu2+ concentration within a certain range in the equilibrium solution. The amount of Cu2+ ions desorbed with KC1 from permanent-charge soil was more than that from variable-charge soil, but the amount of Cu2+ ions desorbed with de-ionized water from permanent-charge soil was extremely low whereas there was still a certain amount of desorption from variable-charge soil. The increase of PZC of soils with variable or permanent charge varied with the increment of Cu2+ ions added. When the same amount of Cu2+ ions was added, the increments of PZC and variable negative surface charge of permanent-charge soil were different from those of variable-charge soil.

Adsorption Kineties of Pb￣(2+) and Cu￣(2+) on Variable Charge Soils andMinerals V .Effects of Temperature and Ionic Strength￣*1

The study results of the effects of temperature and ionic strength on the adsorption kineties of Pb￣2+ and Cu￣2+ bylatosol, red soil and kaolinte coated with Mn oxide showed that Pb￣2+ and Cu￣2+ adsorption by all samples, as awhole, increased with missing temperature. Temperature also increased both values of X_m (the amount of ionadsorbed at equilibrium) and k (kinetica constant) of Pb￣2+ and Cu￣2+. The activation energies of Pb￣2+ adsorption werekaolin-Mn >red soil>goethite and those of Cu￣2+ were latosol> red soil > kaolin-Mn >goethite. For a given singlesample the activation energy of Cu￣2+ was greater than that of Pb￣2+. Raising ionic strength decreased the adsorptionof Pb￣2+ and Cu￣2+ by latosol, red soil and kaolinite coated with Mn oxide but increased Pb￣2+ and Cu￣2+ adsorption bygoethite. The contrary results could be explained by the different changes in ion forms of Pb￣2+ or Cu￣2+ and in surfacecbarge characteristics of latosol, red soil, kaolin-Mn and goethite. Increasing supporting electrolyte concentration in-creased X_m and k in goethite systems but decreased X_m and k in kaolin-Mn systems. All the time-dependent data fit-ted the surface second-order equation very well.

Adsorption Behavior of CH2 and CH3 on Metal Clusters CUn （n=1-6）

Using density functional theory with generalized gradient approximation and hybrid functional, we studied the properties of energy, charge population, and vibration of CH2 and CH3 adsorbed on Cun （n=1-6） clusters. The results show that the DFT calculation with the hybrid functional matches the experimental results better in both cases. The calculation results indicate that the adsorption of CH2 is stronger than that of CH3. During adsorption, the charges transfer from Cu to CH2 or CH3. The obtained vibrational frequencies for different modes of CH2 and CH3 adsorbed on Cun agree well with the experimental results for the adsorption on Cu（111） surface.

Adsorption Kinetics of Pb^(2+) and Cu^(2+) on Variable Charge Soils and Minerals:Ⅰ.Technique

A new technique for studying the adsorption kinetics of heavy metals,Pb^2+ and Cu^2+,on variable charge surfaces was established with two selective electrodes and microcomputer control system.Feasibility of the technique,including interference of other ions (mainly Fe^3+ and Al^3+),response time of electrodes,and the pH range of testing,was studied.Comparision with the most widely used miscible displacement technique,which was considered insufficient in studying 30-minute rapid reactions,at present time showed that the new technique was more advantageous in testing in situ,easy to operate,and economic.

Kinetics, thermodynamics, and equilibrium of As(Ⅲ),Cd(Ⅱ), Cu(Ⅱ) and Pb(Ⅱ) adsorption using porous chitosan bead-supported MnFe_(2)O_(4) nanoparticles

A novel porous nanocomposite,cross-linked chitosan and polyethylene glycol(PEG) bead-supported MnFe_(2) O_(4) nanoparticles(CPM),was developed as an efficient adsorbent to remove metalloid(As(Ⅲ))and heavy metals(Cd(Ⅱ),Cu(Ⅱ),and Pb(Ⅱ)).The characteristics of CPM showed a porous structure,well dispersed MnFe_(2) O_(4),and several of hydroxyl and amino groups(-OH,-NH_(2)).Batch experiments demonstrated that the best adsorption property of As(Ⅲ),Cd(Ⅱ),Cu(Ⅱ),and Pb(Ⅱ) was achieved within 8 h with maximum adsorption capacities of 9.90,9.73,43.94,and 11.98 mg/g,respectively.Competitive and synergistic effects(particularly precipitation) were included in the co-adsorption mechanism of As(Ⅲ) and heavy metals.Thereinto,As(Ⅲ) was partly oxidized by MnFe_(2) O_(4) to As(V),and both were coordinated on MnFe_(2) O_(4) nanoparticles.Pb(Ⅱ) could also bind to MnFe_(2) O_(4) by ion exchange and electrostatic attraction.Furthermore,Cd(Ⅱ) and Cu(Ⅱ) tended to be coordinated on chitosan.Therefore,CPM can serve as a remediation material for water and soil co-contaminated with As(Ⅲ) and heavy metals.

Cu Secondary Adsorption by Some Variable Charge Soils After Adsorbing SO_4^(2-)

Cu secondary adsorption by three variable charge soils collected from hubei Province and Hunan Province was investigated.The amount of Cu secondary adsorption increased with that of SO4^2- elementary adsorption and conformed with the Langmuir,freundlich and Temkin isotherms.Desorption of secondary-adsorbed Cu indicated that the hysteresis ratio decreased as Cu secondary adsorption increased,which meant that secondry-adsorbed Cu existed not only in the exchangeable form but also in the bridge form and specifically adsorbed form.The amount of Cu secondary adsorption increased with the temperature.

Adsorption Kinetics of Pb^(2+) and Cu^(2+) on Variable Charge Soils and Minerals: Ⅲ. Adsorption Kinetics of Pb^(2+) Within 30 Minutes

The adsorption kinetics of Pb^2+ on different soils and minerals with variable charges was studied by the two ion-selective electrode technique at different pH and concentrations.The results showed that more than 95% of adsorption on all the samples occurred during the first 5 minutes.All adsorption time-dependent data could fit the surface second-order equation very well.The values of Xm were goethite>kaolinite,and latosol>red soil at the same initial reaction concentration.The values of k were kaolinite>>goethite,and latosol>red soil at the same reaction pH and initial concentration.The higher the suspension pH,the faster the adsorption occurred.The meaning of Xm got by the two ion-selective electrode technique(one kind of batch technique) was different from that by the miscible displacement technique in that the former was only the equilibrium adsorption amount at a definite concentration and pH,but the latter was almost equal to the adsorption capacity at a definite pH with much less influence of concentration.One Pb^2+ was supposed to occupy two adsorption sites as the adsorption mechanism is concerned.

Reactive adsorption desulfurization coupling aromatization on Ni/ZnO-Zn_6Al_2O_9 prepared by Zn_xAl_y(OH)_2(CO_3)_z·x H_2O precursor for FCC gasoline

Aiming to improve the reactive adsorption desulfurization（RADS） performances of Ni/Zn O adsorbents,ZnxAly（OH）2（CO3）z·x H2 O precursor is synthesized by coprecipitation of Zn2＋,AlO-2,and CO2-3; the Zn OZn6Al2O9 composite oxides are obtained by the calcination of ZnxAly（OH）2（CO3）z·x H2 O precursor,and the Ni/Zn O-Zn6Al2O9（6.0 wt% Ni O） adsorbents are prepared by wetness impregnation method. The phase,acid strength,acid type and quantity,morphology,and thermal properties were characterized by X-ray diffraction,temperature-programmed desorption of ammonia,pyridine-adsorbed infrared spectrum,high-resolution transmission electron microscopy,and Thermo Gravimetry-Derivative Thermo Gravimetry（TG-DTG）,respectively. The breakthrough sulfur capacities of six adsorbents are between 34.2 and 47.9 mg/gcat. The kinetic studies indicated that the active energy of RADS（49.4 k J/mol） could reach nano-sized Zn O,the particle size of is about 12.0 nm. All the excellent RADS performances can be due to the high SBET. Also,there are some extents of aromatization reactions that occur,which can be contributed to the B？nsted acid rooted in Zn6Al2O9 composite oxide,and the octane number of products can be preserved well.