Investigations of methane adsorption characteristics on marine-continental transitional shales and gas storage capacity models considering pore evolution

Methane adsorption is a critical assessment of the gas storage capacity(GSC)of shales with geological conditions.Although the related research of marine shales has been well-illustrated,the methane adsorption of marine-continental transitional(MCT)shales is still ambiguous.In this study,a method of combining experimental data with analytical models was used to investigate the methane adsorption characteristics and GSC of MCT shales collected from the Qinshui Basin,China.The Ono-Kondo model was used to fit the adsorption data to obtain the adsorption parameters.Subsequently,the geological model of GSC based on pore evolution was constructed using a representative shale sample with a total organic carbon(TOC)content of 1.71%,and the effects of reservoir pressure coefficient and water saturation on GSC were explored.In experimental results,compared to the composition of the MCT shale,the pore structure dominates the methane adsorption,and meanwhile,the maturity mainly governs the pore structure.Besides,maturity in the middle-eastern region of the Qinshui Basin shows a strong positive correlation with burial depth.The two parameters,micropore pore volume and non-micropore surface area,induce a good fit for the adsorption capacity data of the shale.In simulation results,the depth,pressure coefficient,and water saturation of the shale all affect the GSC.It demonstrates a promising shale gas potential of the MCT shale in a deeper block,especially with low water saturation.Specifically,the economic feasibility of shale gas could be a major consideration for the shale with a depth of<800 m and/or water saturation>60%in the Yushe-Wuxiang area.This study provides a valuable reference for the reservoir evaluation and favorable block search of MCT shale gas.

Simultaneous Adsorption of Aqueous Pb2+, Cu2+, Zn2+, and Cd2+ Using Surfactant-Modified and Unmodified Activated Carbon in a Fixed Bed Column

The goal of this work is to improve the simultaneous removal of Pb2+, Cu2+, Zn2+, and Cd2+ ions from synthetic wastewater in a fixed bed column by incorporating sodium dodecyl sulfate (SDS) onto the surface of activated carbon made from coconut shells. The activated carbons were characterized using Fourier transform infrared spectroscopy (FT-IR) and scanning electron microscopy-energy dispersive x-ray (SEM-EDX). The adsorption column dynamics were studied by varying the flow rates (5, 10 and 15 mL/min), bed heights (10, 15 and 20 cm), and initial concentrations (50, 150, and 250 mg/L). The activated carbon has a pore volume of 0.715 cm3/g and a BET-specific surface area of 1410 m2/g. Sodium dodecyl sulfate (SDS) surfactant incorporation onto the surface of the activated carbon enhances its capacity for simultaneous adsorption of Pb2+, Cu2+, Zn2+, and Cd2+ from the aqueous medium. The affinity of the heavy metals to both unmodified (AC) and modified (AC-SDS) activated carbons followed the order of Pb2+ > Cu2+ > Zn2+ > Cd2+. The dynamic adsorption of the column depends on the flow rate, bed height, initial metal concentration, and SDS surface modification. With a 5 mL/min flow rate, a 20 cm bed height, and a 50 mg/L initial metal concentration, a maximum break-through time of 150 minutes for the unmodified activated carbon (AC) and 180 minutes for the SDS-modified activated carbon (AC-SDS) was reached.

Characterization of adsorptive capacity and mechanisms on adsorption of copper, lead and zinc by modified orange peel

A novel adsorbent was prepared by modifying orange peel with sodium hydroxide and calcium chloride. The morphological and characteristics of the adsorbent were evaluated by infrared spectroscopy （IR）, scanning electron microscopy （SEM） and N2-adsorption techniques. The adsorption behavior of Cu^2＋, Pb^2＋ and Zn^2＋ on modified orange peel （SCOP） was studied by varying parameters like pH, initial concentration of metal ions. Equilibrium was well described by Langmuir equation with the maximum adsorption capacities for Cu^2＋, Pb^2＋ and Zn^2＋ of 70.73, 209.8 and 56.18 mg/g, respectively. Based on the results obtained in batch experiments, breakthrough profiles were examined using a column packed with SCOP for the separation of small concentration of Pb^2＋ from an excess of Zn^2＋ followed by elution tests. Ion exchange with Ca^2＋ neutralizing the carboxyl groups of the pectin was found to be the predominant mechanism.

Study of Static Adsorption Capacity of ACF for Xenon at 201 K

The static adsorption performances of a series of active carbon fiber(ACF)for xenon at 201 K were measured with a model ASAP2010M specific surface area and aperture distribution instrument by changing the working gas of instrument from N 2 to Xenon. Compared with grain active carbon(GAC): (1) the adsorption performance of Viscose based ACF(VACF) adsorbents is better than that of GAC; (2) owing to the difference of aperture distribution, the adsorption performance of ACF with different radicales is different under the same experiment conditions though the specific surface area is similar; (3) there is no definite relationship between adsorption performance and specific surface area; (4) the VACF A2 is the superior xenon adsorbent at the experimental temperature.

Fixed-Bed Column Adsorption Modeling of MnO4- Ions from Acidic Aqueous Solutions on Activated Carbons Prepared with the Biomass

Activated carbons calcined at 400˚C and 600˚C (AC-400 and AC-600), prepared using palm nuts, collected in the town of Franceville in Gabon, were used to study the dynamic adsorption of MnO4- ions in acidic media on fixed bed column and on the kinetic modeling of experimental data of breakthrough curves of MnO4- ions obtained. Results on the adsorption of MnO4- ions in fixed-bed dynamics obtained on AC-400 and AC-600 adsorbents beds indicated that the AC-400 bed appears to be the most efficient in removing MnO4- ions in acidic media. Indeed, the adsorbed amounts, the adsorbed capacities at saturation and the elimination percentage of MnO4- ions obtained with AC-400 (31.24 mg;52.06 mg·g-1 and 41.65% respectively) were higher compared to those obtained with AC-600 (9.87 mg;16.45 mg·g-1 and 17.79% respectively). The breakthrough curves kinetic modeling revealed that the Thomas model and the pseudo-first-order kinetic model were the most suitable models to describe the adsorption of MnO4- ions on adsorbents studied in our experimental conditions. The results of the intraparticle diffusion model showed that intraparticle diffusion was involved in the adsorption mechanism of MnO4- ions on investigated adsorbents and was not the limiting step and the only process controlling MnO4- ions adsorption. In contrast to AC-400, the intraparticle diffusion on AC-600 bed plays an important role in the adsorption mechanism of MnO4- ions.

Adsorption Capacity for Phosphorus Comparison among Activated Alumina, Silica Sand and Anthracite Coal

Experimental researches on adsorptive capacity of activated alumina, silica sand and anthracite coal for phosphorus were conducted. Results showed that performances of three filter media were all in line with Langmuir isotherm, and activated alumina adsorptive performance was much better than silica sand and an-thracite coal for phosphorus removal. The adsorptive capacity of activated alumina, silica sand and anthracite coal for phosphorus was 3333μg/g, 49μg/g and 100μg/g respectively. Activated alumina displayed adsorp-tive function well for phosphorus, because its inner porosity, specific surface area and surface isoelectric pH value were all higher than those of other two filter media. While activated alumina was used as filter material in water treatment process, phosphorus would be removed strongly because of adsorptive characteristic of activated alumina.

Combined control of fluid adsorption capacity and initial permeability on coal permeability

The variations of strain and permeability of coal were systematically studied through the physical simulation of N2 and water injection.The effects of fluid adsorption capacity and initial permeability on strain,permeability and the dominant effect of pore pressure were discussed.The adsorption strain and strain rate of coal during water injection are significantly higher than those during N2 injection.An edge of free adsorption exists in the early phase of N2 and water injection,which is related to fluid saturation.Within this boundary,the strain rate and pore pressure are independent.Moreover,the injec-tion time of initial stage accounts for about 20%of the total injection time,but the strain accounts for 70%of the total strain.For water injection,this boundary is about half of water saturation of coal.Besides,the influence of pore pressure on permeability is complex,which is controlled by adsorption capacity and initial permeability of coal.When the initial permeability is large enough,the effect of adsorption strain on permeability is relatively weak,and the promoting effect of pore pressure on fluid migration is dominant.Therefore,the permeability increases with increasing pore pressure.When the initial permeability is relatively low,the pore pressure may have a dominant role in promoting fluid migration for the fluid with weak adsorption capacity.However,for the fluid with strong adsorption capacity,the adsorption strain caused by pore pressure may play a leading role,and the permeability reduces first and then ascends with increasing pore pressure.

The Effect of Coal Fly Ash Treatment with NaOH on the Characters and Adsorption Capacity toward Pb（Ⅱ） in the Solution

Coal fly ash （CFA） generated by coal-based thermal power plants is mainly composed of some oxides having high crystallinity, including quartz and mullite. In this study, the effect of CFA crystallinity toward its capacity on Pb（Ⅱ） adsorption was investigated. CFA with various crystaUinity was obtanied by refluxing it with sodium hydroxide （NaOH） solution having various concentrations （1-7 M） at various temperature and reflux time. To evaluate the effect of crystallinity of treated CFA on the adsorption capacity, adsorption of Pb（Ⅱ） solution with treated CFA was carried out. The research shows that the reflux of CFA with NaOH solution leads to the crystallinity of quartz and mullite in CFA decreased. The decrease is proportional with the concentration increasing, the temperature elevation, and the longer time. The reflux using NaOH solution with high concentration （〉 3 M） in addition causes a decrease in the crystallinity of quartz and mullite, also results in the formation of hydroxysodalite. The decrease of the CFA crystalllinity gives an increase in CFA adsorption capacity toward Pb（Ⅱ） solution.

Novel interface engineering of LDH-based materials on Mg alloy for efficient photocatalytic systems considering the geometrical linearity of condensed phosphates

This study presents a facile and rapid method for synthesizing novel Layered Double Hydroxide(LDH)nanoflakes,exploring their application as a photocatalyst,and investigating the influence of condensed phosphates'geometric linearity on their photocatalytic properties.Herein,the Mg O film,obtained by plasma electrolysis of AZ31 Mg alloys,was modified by growing an LDH film,which was further functionalized using cyclic sodium hexametaphosphate(CP)and linear sodium tripolyphosphate(LP).CP acted as an enhancer for flake spacing within the LDH structure,while LP changed flake dispersion and orientation.Consequently,CP@LDH demonstrated exceptional efficiency in heterogeneous photocatalysis,effectively degrading organic dyes like Methylene blue(MB),Congo red(CR),and Methyl orange(MO).The unique cyclic structure of CP likely enhances surface reactions and improves the catalyst's interaction with dye molecules.Furthermore,the condensed phosphate structure contributes to a higher surface area and reactivity in CP@LDH,leading to its superior photocatalytic performance compared to LP@LDH.Specifically,LP@LDH demonstrated notable degradation efficiencies of 93.02%,92.89%,and 88.81%for MB,MO,and CR respectively,over a 40 min duration.The highest degradation efficiencies were observed in the case of the CP@LDH sample,reporting 99.99%for MB,98.88%for CR,and 99.70%for MO.This underscores the potential of CP@LDH as a highly effective photocatalyst for organic dye degradation,offering promising prospects for environmental remediation and water detoxification applications.

Lysozyme adsorption to cation exchanger derivatized by sequential modification of poly(ethylenimine)-Sepharose with succinic anhydride and ethanolamine: Effect of p H and ionic strength

In our previous work, a series of polyethylenimine(PEI)-derived cation exchangers were synthesized using PEIgrafted resin FF-PEI-L740(ionic capacity, 740 mmol·L^-1) as the basic resin to study lysozyme adsorption and chromatographic behavior. It was found that the resin with an ionic capacity of 630 mmol·L^-1(FF-PEI-CR630)possessed high adsorption performance towards lysozyme at 0–100 mmol·L^-1 Na Cl. Therefore, in this work,FF-PEI-CR630 was selected to study the influences of pH and ionic strength(IS) on protein adsorption and chromatographic behavior towards lysozyme. The increase of lysozyme adsorption capacity in the pH range of 6 to 10 was observed. However, the uptake rate decreased in the pH range of 6 to 8 and then remained essentially unchanged from pH 8 to pH 10. Increasing IS led to decreased protein adsorption capacity and increased uptake rate in different pH ranges. Besides, FF-PEI-CR630 maintained dynamic binding capacity as high as over150 mg·ml^-1 at pH 8–10 without NaCl. The research has thus provided insight into the selection of proper pH and IS conditions for protein purification by using FF-PEI-CR630.

Adsorption Refrigeration Performance of Shaped MIL-101-Water Working Pair

A new metal-organic framework of MIL-101 was synthesized by hydrothermal method and the powder prepared was pressed into a desired shape. The effects of molding on specific surface area and pore structure were investigated using a nitrogen adsorption method. The water adsorption isotherms were obtained by high vacuum gravimetric method, the desorption temperature of water on shaped MIL-101 was measured by thermo gravimetric analyzer, and the adsorption refrigeration performance of shaped MIL-101-water working pair was studied on the simulation device of adsorption refrigeration cycle system. The results indicate that an apparent hysteresis loop ap-pears in the nitrogen adsorption/desorption isotherms when the forming pressure is 10 MPa. The equilibrium ad-sorption capacity of water is up to 0.95 kg·kg^-1 at the forming pressure of 3 MPa （MIL-101-3）. The desorption peak temperature of water on MIL-101-3 is 82℃, which is 7 ℃ lower than that of silica gel, and the desorption temperature is no more than 100 ℃. At the evaporation temperature of 10 ℃, the refrigeration capacity of MIL-101-3-water is 1059 kJ·kg^-1, which is 2.24 times higher than that of silica gel-water working pair. Thus MIL-101-water working pair presents an excellent adsorption refrigeration performance.

Adsorption properties of CFBC ash-cement pastes as compared with PCC fly ash-cement pastes

Circulating fluidized bed combustion （CFBC） ash can be potentially used as supplementary cementitious materials for concrete production due to its desirable pozzolanic activity. The adsorption properties of CFBC ash-cement pastes were studied, and ordinary pulverized coal combustion （PCC） fly ash-cement pastes were used as control. The water-adsorption and superplasticizer （SP）-adsorption properties of the pastes were evaluated by water demand and UV-visible absorption spectroscopy respectively. The results show that CFBC ash-cement system has greater compressive strength as compared with PCC fly ash-cement system at a given curing age, although the water demand of the former is significantly higher than that of the latter. CFBC ash-cement pastes possess higher adsorption ability of aliphatic SP than PCC fly ash-cement pastes and the adsorption amount increases with an increase in ash replacement ratio. CFBC ash- cement pastes exhibit lower workability with higher slump loss. It is concluded that CFBC ash can be potentially used as supplementary cementitious material in concrete production, but the mix design of CFBC ash concrete needs to be appropriately adjusted. It is suggested that CFBC ash is used for the production of the concrete needing low flowability.

Implications from γ-globulin adsorption onto cation exchangers fabricated by sequential alginate grafting and sulfonation

Our previous work proved that high adsorption capacity and uptake rate of lysozyme were achieved on alginate(Alg)-grafted re sin with an ionic capacity(IC) of 240 mmol·L^(-1)(Alg-FF-240).Moreover,the salt-tolerant feature of Alg-FF-230 was improved by using sequential alginate grafting and sulfonation strategy.Inspired by the enhanced adsorption performance of lysozyme,we have herein proposed to investigate the static and dynamic adsorption behaviors of γ-globulin on a series of Alg-grafted resins with different grafting densities and sulfonation degrees.The adsorption ca pacity of γ-globulin decreased with increa sing alginate-grafting density(IC) from 160 to 230 mmol·L^(-1) at 0 mmol·L^(-1) NaCl because of the steric hindrance caused by the alginate-grafting layer.Effects of ionic strength(IS) indicated that the adsorption capacities of the resins with the IC value of 230-370 mmol·L^(-1) were much higher than CM Sepharose FF at 50-100 mmol·L^(-1) NaCl,and the uptake rate of Alg-FF-230 was about twice as much as that of CM Sepharose FF.This work demonstrated the important effects of alginate-grafting layer and IS in γ-globulin adsorption behavior,which would be helpful in the design of Alggrafted resins and the selection of proper IS condition for protein purification.

Adsorption and flotation mechanism of a ketoxime-dithiocarbonate surfactant to chalcopyrite

The adsorption mechanism of O-isopropyl-S-[2-(hydroxyimino) propyl] dithiocarbonate ester(IPXPO) to chalcopyrite was investigated by using contact angle, in-situ atomic force microscopy(in-situ AFM), cyclic voltammetry(CV) and X-ray photoelectron spectroscopy(XPS). The results of contact angle and in-situ AFM demonstrated that IPXPO adsorbed on chalcopyrite increases surface hydrophobicity and roughness. It was found by CV experiments that a layer passive film was formed. The results of XPS spectra further revealed that the thiol S atom, oxime N atom, and O atom in the IPXPO molecule might react with copper atoms to form Cu-S, Cu-N, and Cu-O bonds, respectively. An artificial mixed minerals flotation test indicated that under the condition of pH=6.79 and IPXPO initial concentration 5×10^(-5)mol/L, the flotation recovery of chalcopyrite reached about 90%, while for pyrite only 25%, suggesting that IPXPO is an excellent collector for flotation separation and enrichment of chalcopyrite.

DFT Investigation of O_2 Adsorption on Si(001)-(2×2×1):H

A novel model was developed to theoretically evaluate the 02 adsorption on H-terminated Si（001）-（2×2×1） surface. The periodic boundary condition, the ultrasoft pseudopotentials technique based on density functional theory （DFT） with generalized gradient approxi,natior, （GGA） functional were applied in our ab initio calculations. By analyzing bonding energy oil site, the favourable adsorption site was determined. The calculations also predicted that the adsorption products should be Si=O and H2O. This theoretical study snpported the reaction mechanism provided by Kovalev et al, The results were also a base for further investigation of some more complex systems such as the oxida.tion on porous silicon surface.

Effects of Pre-oxidation Conditions on Adsorption Performance of Activated Carbon Fibers

In order to investigate the effects of pre-oxidation conditions on adsorption performance of activated carbon fibers （ ACFs ）, electrospun polyacrylonitrile （ PAN ） fiber webs were adopted as precursors for preparing ACFs. Firstly, the webs were stabilized under different pre-oxidation conditions; secondly, the pre-oxidative fibers were chemically activated by high temperature treatment in nitrogen. Pre-oxidation temperature, heating rate, and treatment time are the main factors on affecting the adsorption performance of the ACFs. Scanning electron microscope （ SEM）, differential scanning calorimeter （DSC）, and Fourier transform infrared spectroscopy （FTIR） were used to characterize the structure and property of the pre-oxldatlve fibers, and the dynamic benzene adsorption capacity of benzene of ACFs was measured. The results indicate that the moderate pre-oxidation condition is necessary to prepare the ACFs with better adsorption capacity, and the optimal oxidation conditions are to increase from room temperature to 230 ~C with a heating rate of 0.75 ~C ~ min -1 held at the peak temperature for 30min.

Adsorption and Desorption of Phenol on XDA-1 Macroreticular Resin

The adsorption properties of phenol on XDA-1 resin were studied by chemical analysis and IR spectrometry.The statically saturated adsorption capacity,dynamic saturated adsorption capacity,apparent activation energy,thermodynamic parameters,and adsorption rate constants were measured at different temperatures.As a result,adsorption of phenol on the resin obeys the Freundlich formula.And phenol was recovered quantitatively when ethanol,acetone or 1.0 mol/L sodium hydroxide were used to desorb it from the column.

MIL-53(Fe)在土壤Sb(Ⅲ)污染修复中的应用研究

采用溶剂热法制备了金属有机框架材料MIL-53(Fe),并将其应用于吸附土壤中的锑(Sb)。以MIL-53(Fe)为吸附剂,吸附水溶液中Sb(Ⅲ),探讨了溶液温度、pH值、吸附剂用量、Sb(Ⅲ)初始浓度、腐殖酸含量对吸附性能的影响,分析了吸附等温线和吸附动力学。结果表明,吸附剂用量3%,修复15 d后的土壤毒性浸出试验可浸出的Sb(Ⅲ)浓度降低了94.2%。溶液pH值和腐殖酸含量对吸附性能基本没有影响。对于25 mL浓度10μg/mL的Sb(Ⅲ)溶液,加入20 mg MIL-53(Fe)即可达到良好的吸附效果。Sb(Ⅲ)初始浓度对MIL-53(Fe)吸附Sb(Ⅲ)的影响较大,吸附平衡条件下吸附剂最大吸附容量为102.9 mg/g。该吸附过程的吸附等温线与Freundlich模型拟合相匹配,吸附动力学符合伪二级动力学模型。

Theoretical Investigation of Adsorption Effects of Granisetron Anticancer Drug over BN(7,7-7) Nanotube as a Factor of Drug Delivery: a DFT Study

In the present work, the interaction between drug Granisetron(GRS) and BN(7,7-7) nanotube by density functional theory(DFT) calculations in the solvent water has been investigated. The non-bonded interaction effects of the molecule GRS with BN(7,7-7) nanotube on chemical shift tensors, natural charge and electronic properties such as the energy gap between HOMO and LUMO, global hardness, electronegativity and electronic chemical potential have been also detected. The natural bond orbital(NBO) analysis suggested that charge transfer depended between GRS and nanotube and induces a dipole moment in the complex. Then, the possibility of the use of BN(7,7-7) nanotube for GRS delivery to the diseased cells has been established.

极性-非极性复配捕收剂对难浮氧化煤泥浮选效果的影响及作用机理

针对选煤厂入浮煤泥表面氧化程度高、含氧官能团多,导致浮选精煤产率低且灰分高的问题,分别采用柴油、常规极性-非极性复配捕收剂以及自主开发的新型极性-非极性复配捕收剂,进行了浮选试验,并结合接触角测试和吸附量测试,揭示了新型极性-非极性复配捕收剂强化氧化煤泥浮选效果的作用机理。结果表明:采用柴油和常规极性-非极性复配捕收剂进行氧化煤泥的浮选时,浮选效果均较差,难以满足生产要求;而采用新型极性-非极性复配捕收剂进行氧化煤泥浮选时效果较好,且该复配捕收剂更容易吸附在氧化煤泥表面,可显著提高煤泥表面接触角、降低其对水的润湿性,从而提升氧化煤泥浮选效果。同时,针对氧化煤泥采用新型极性-非极性复配捕收剂进行浮选,当捕收剂总用量为1200 g/t时,精煤产率可达74.28%,精煤灰分仅为7.66%。