A new way of assessing clay cation adsorption using normalized salt concentration

Clay Minerals ◽  
2003 ◽  
Vol 38 (2) ◽  
pp. 233-242 ◽  
Author(s):  
J . -L. Bersillon ◽  
F. Villiéras ◽  
L. Michot ◽  
J. -M. Cases
Keyword(s):  
Adsorption Energy ◽  
Gas Adsorption ◽  
Adsorption Sites ◽  
Adsorption Data ◽  
Alkaline Conditions ◽  
Site Category ◽  
Acidic Conditions ◽  
Cation Adsorption ◽  
Monolayer Coverage ◽  
Reference Phase

AbstractKaolinite cation adsorption data are processed using recent gas adsorption concepts such as the undersaturation ∆m = ln (C/Cs) and the monolayer coverage y. This process shows that using the proper reference phase through its solubility Cs, it is possible to characterize adsorption sites that have the same adsorption energy regardless of the nature of the cation. Under mildly acidic conditions, a single ‘Langmuirian’ site category fits cation adsorption data whereas another family of sites is revealed in mildly alkaline conditions. These results suggest that at mildly acidic pH, only silanol sites are available to ion exchange and adsorption whereas at higher pH, a wider range of sites is made available, some of them displaying the same average adsorption energy and the others constituting a different category of sites with a much lower adsorption energy. This latter category is attributed to the aluminol sites.

scholarly journals Kerogen nanoscale structure and CO2 adsorption in shale micropores

2021 ◽  
Vol 11 (1) ◽  
Author(s):  
Aleksandra Gonciaruk ◽  
Matthew R. Hall ◽  
Michael W. Fay ◽  
Christopher D. J. Parmenter ◽  
Christopher H. Vane ◽  
...  
Keyword(s):  
Electron Microscopy ◽  
Chemical Composition ◽  
Focused Ion Beam ◽  
Gas Adsorption ◽  
Ion Beam ◽  
Molecular Size ◽  
Gas Sorption ◽  
Nanoscale Structures ◽  
Adsorption Sites ◽  
Nanoscale Structure

AbstractGas storage and recovery processes in shales critically depend on nano-scale porosity and chemical composition, but information about the nanoscale pore geometry and connectivity of kerogen, insoluble organic shale matter, is largely unavailable. Using adsorption microcalorimetry, we show that once strong adsorption sites within nanoscale network are taken, gas adsorption even at very low pressure is governed by pore width rather than chemical composition. A combination of focused ion beam with scanning electron microscopy and transmission electron microscopy reveal the nanoscale structure of kerogen includes not only the ubiquitous amorphous phase but also highly graphitized sheets, fiber- and onion-like structures creating nanoscale voids accessible for gas sorption. Nanoscale structures bridge the current gap between molecular size and macropore scale in existing models for kerogen, thus allowing accurate prediction of gas sorption, storage and diffusion properties in shales.

scholarly journals A theoretical and experimental study of the adsorptive removal of hexavalent chromium ions using graphene oxide as an adsorbent

2020 ◽  
Vol 18 (1) ◽  
pp. 936-942
Author(s):  
Ardhmeri Alija ◽  
Drinisa Gashi ◽  
Rilinda Plakaj ◽  
Admir Omaj ◽  
Veprim Thaçi ◽  
...  
Keyword(s):  
Graphene Oxide ◽  
Hexavalent Chromium ◽  
Adsorption Energy ◽  
Density Functional ◽  
Noncovalent Interactions ◽  
Theoretical Calculations ◽  
Chemical Oxidation ◽  
Chromium Ions ◽  
Adsorption Sites ◽  
Vis Spectroscopy

AbstractThis study is focused on the adsorption of hexavalent chromium ions Cr(vi) using graphene oxide (GO). The GO was prepared by chemical oxidation (Hummers method) of graphite particles. The synthesized GO adsorbent was characterized by Fourier transform infrared spectroscopy and UV-Vis spectroscopy. It was used for the adsorption of Cr(vi) ions. The theoretical calculations based on density functional theory and Monte Carlo calculations were used to explore the preferable adsorption site, interaction type, and adsorption energy of GO toward the Cr(vi) ions. Moreover, the most stable adsorption sites were used to calculate and plot noncovalent interactions. The obtained results are important as they give molecular insights regarding the nature of the interaction between GO surface and the adsorbent Cr(vi) ions. The found adsorption energy of −143.80 kcal/mol is indicative of the high adsorptive tendency of this material. The adsorption capacity value of GO toward these ions is q = 240.361 mg/g.

scholarly journals Water and Carbon Dioxide Adsorption on CaO(001) Studied via Single Crystal Adsorption Calorimetry

2021 ◽  
Author(s):  
J. Seifert ◽  
S. J. Carey ◽  
S. Schauermann ◽  
S. Shaikhutdinov ◽  
H.-J. Freund
Keyword(s):  
Adsorption Energy ◽  
Adsorbed Water ◽  
Spectroscopic Studies ◽  
Detector Response ◽  
Adsorption Calorimetry ◽  
Instrument Response Function ◽  
Line Shapes ◽  
Adsorption Sites ◽  
Saturation Coverage ◽  
Initial Adsorption

AbstractA new method to analyze microcalorimetry data was employed to study the adsorption energies and sticking probabilities of D2O and CO2 on CaO(001) at several temperatures. This method deconvolutes the line shapes of the heat detector response into an instrument response function and exponential decay functions, which correspond to the desorption of distinct surface species. This allows for a thorough analysis of the adsorption, dissociation, and desorption processes that occur during our microcalorimetry experiments. Our microcalorimetry results, show that D2O adsorbs initially with an adsorption energy of 85–90 kJ/mol at temperatures ranging from 120 to 300 K, consistent with prior spectroscopic studies that indicate dissociation. This adsorption energy decreases with increasing coverage until either D2O multilayers are formed at low temperatures (120 K) or the surface is saturated (> 150 K). Artificially producing defects on the surface by sputtering prior to dosing D2O sharply increases this adsorption energy, but these defects may be healed after annealing the surface to 1300 K. CO2 adsorbs on CaO(001) with an initial adsorption energy of ~ 125 kJ/mol, and decreases until the saturation coverage is reached, which is a function of surface temperature. The results showed that pre-adsorbed water blocks adsorption sites, lowers the saturation coverage, and lowers the measured adsorption energy of CO2. The calorimetry data further adds to our understanding of D2O and CO2 adsorption on oxide surfaces.

Adsorptive removal of trace oxytetracycline from water by acid-modified zeolite: influencing factors

2013 ◽  
Vol 68 (11) ◽  
pp. 2473-2478 ◽  
Author(s):  
Wenhao An ◽  
Hua Xiao ◽  
Man Yu ◽  
Xiaoyang Chen ◽  
Yuxin Xu ◽  
...  
Keyword(s):  
Humic Acid ◽  
Removal Efficiency ◽  
Natural Zeolite ◽  
Opposite Effect ◽  
Swine Wastewater ◽  
Adsorption Efficiency ◽  
Tetracycline Antibiotics ◽  
Modified Zeolite ◽  
Alkaline Conditions ◽  
Acidic Conditions

Because of the wide use of antibiotics in the livestock industry, trace tetracycline antibiotics are frequently detected in swine wastewater and water bodies near pig farms. Based on natural zeolite, modified zeolite was synthesized by treatment with nitric acid. As one kind of typical tetracyclines, oxytetracycline (OTC) was chosen as the target adsorbate. Removal of trace OTC by modified zeolite and the effects of several main water matrices on OTC adsorption were studied in detail. OTC removal efficiency by acid-modified zeolite was about 90%, compared to less than 20% by natural zeolite. In general, in acidic conditions the removal efficiency of OTC by modified zeolite was about 90%, which was much higher than 20–35% in alkaline conditions. An increase in ionic strength from 0.01 to 1.0 M led to a decrease in adsorption efficiency from 90 to 27%. The presence of 10.0 mg L−1 dissolved humic acid accelerated sorption of OTC on modified zeolite, while 100.0 mg L−1 humic acid resulted in the opposite effect. An increase in temperature contributed to enhancing the adsorption efficiency.

scholarly journals Sythesis of Nano Zerovalent Iron Supported Sawdust (NZVI/SD) and Its Application for Removal of Arsenic (III) from Aqueous Solution

2020 ◽  
pp. 1-12
Author(s):  
Tasrina R. Choudhury ◽  
Snahasish Bhowmik ◽  
M. S. Rahman ◽  
Mithun R. Nath ◽  
F. N. Jahan ◽  
...  
Keyword(s):  
Ph Value ◽  
Ferrous Sulphate ◽  
Freundlich Isotherm ◽  
Second Order ◽  
Zerovalent Iron ◽  
Isotherm Model ◽  
Order Kinetic ◽  
Adsorption Sites ◽  
Adsorption Data ◽  
Pseudo Second Order

Sawdust supported nano-zerovalent (NZVI/SD) iron was synthesized by treating sawdust with ferrous sulphate followed by reduction with NaBH4. The NZVI/SD was characterized by SEM, XRD, FTIR and Chemical method. Adsorption of As (III) by NZVI/SD was investigated and the maximum uptake of As (III) was found at pH value of 7.74 and equilibrium time of 3 hrs. The adsorption isotherm modelling revealed that the equilibrium adsorption data were better fitted with the Langmuir isotherm model compared with the Freundlich Isotherm model. This study revealed that the maximum As (III) ions adsorption capacity was found to be 12.66 mg/g for using NZVI/SD adsorbent. However, the kinetics data were tested by pseudo-first-order and pseudo-second-order kinetic models; and it was observed that the adsorption data could be well fitted with pseudo-second-order kinetics for As (III) adsorption onto NZVI/SD depending on both adsorbate concentration and adsorption sites. The result of this study suggested that NZVI/SD could be developed as a prominent environment-friendly adsorbent for the removal of As (III) ions from aqueous systems.

scholarly journals Statistical Thermodynamic Model of Gas Adsorption in a Metal-Organic Framework Harboring a Rotaxane Molecular Shuttle

2019 ◽  
Author(s):  
Jonathan Carney ◽  
David Roundy ◽  
Cory M. Simon
Keyword(s):  
Thermodynamic Model ◽  
Gas Adsorption ◽  
Metal Organic Framework ◽  
Adsorption Properties ◽  
Statistical Thermodynamic ◽  
Temperature Sensitive ◽  
Adsorption Sites ◽  
Metal Organic ◽  
Dynamic Components ◽  
Molecular Shuttle

Metal-organic frameworks (MOFs) are modular and adjustable nano-porous materials with applications in gas storage, separations, and sensing. Flexible/dynamic components that respond to adsorbed gas can give MOFs unique or enhanced adsorption properties. Here, we explore the adsorption properties that could be imparted to a MOF by a rotaxane molecular shuttle (RMS) in its pores. In an RMS-MOF, a macrocyclic wheel is mechanically interlocked with a strut. The wheel shuttles between stations on the strut that are also gas adsorption sites. We pose and analyze a simple statistical thermodynamic model of gas adsorption in an RMS-MOF that accounts for (i) wheel/gas competition for sites on the strut and (ii) the entropy endowed by the shuttling wheel. We determine how the amount of gas adsorbed, position of the wheel, and energy change upon adsorption depend on temperature, pressure, and the interactions of the gas/wheel with the stations. Our model reveals that, compared to an ordinary Langmuir material, the chemistry of the RMS-MOF can be tuned to render adsorption more or less temperature-sensitive and release more or less heat upon adsorption. The model also uncovers a non-monotonic relationship between temperature and the position of the wheel if gas out-competes the wheel for its preferable station.

scholarly journals Statistical Mechanical Model of Gas Adsorption in a Metal-Organic Framework Harboring a Rotaxane Molecular Shuttle

2020 ◽  
Author(s):  
Jonathan Carney ◽  
David Roundy ◽  
Cory M. Simon
Keyword(s):  
Mechanical Model ◽  
Gas Adsorption ◽  
Adsorption Properties ◽  
Temperature Sensitive ◽  
Adsorption Model ◽  
Adsorption Sites ◽  
Statistical Mechanical Model ◽  
Metal Organic ◽  
Statistical Mechanical ◽  
Molecular Shuttle

Metal-organic frameworks (MOFs) are modular and tunable nano-porous materials with applications in gas storage, separations, and sensing. Flexible/dynamic components that respond to adsorbed gas can give MOFs unique or enhanced adsorption properties. Here, we explore the adsorption properties that could be imparted to a MOF by a rotaxane molecular shuttle (RMS) in its pores. In the unit cell of an RMS-MOF, a macrocyclic wheel is mechanically interlocked with a strut of the MOF scaffold. The wheel shuttles between stations on the strut that are also gas adsorption sites. At a level of abstraction similar to the seminal Langmuir adsorption model, we pose and analyze a simple statistical mechanical model of gas adsorption in an RMS-MOF that accounts for (i) wheel/gas competition for sites on the strut and (ii) gas-induced changes in the configurational entropy of the shuttling wheel. We determine how the amount of gas adsorbed, position of the wheel, and differential energy of adsorption depend on temperature, pressure, and the interactions of the gas/wheel with the stations. Our model reveals that, compared to a rigid, Langmuir material, the chemistry of the RMS-MOF can be tuned to render gas adsorption more or less temperature-sensitive and to release more or less heat upon adsorption. The model also uncovers a non-monotonic relationship between the temperature and the position of the wheel if gas out-competes the wheel for its preferable station.

Effect of acidity on the properties of silica-aluminas synthesized by sol-gel method

2020 ◽  
Vol 63 (7) ◽  
pp. 126-132
Author(s):  
Lyubov V. Furda ◽  
◽  
Evgenia A. Tarasenko ◽  
Sofya N. Dudina ◽  
Olga E. Lebedeva ◽  
...  
Keyword(s):  
Surface Area ◽  
Sol Gel ◽  
Molar Ratio ◽  
Active Centers ◽  
Indicator Method ◽  
Synthesis Conditions ◽  
Alkaline Conditions ◽  
Acidic Conditions ◽  
Amphoteric Properties ◽  
Hydrolysis Of

In the present work amorphous silica-aluminas were synthesized by the coprecipitation method during the hydrolysis of an alcohol solution of tetraethoxysilane (with a tetraethoxysilane: alcohol mass ratio of 1: 1) and 6% aqueous solution of aluminum nitrate at pH values of 1, 3, and 10. The Si/Al molar ratio for all synthesized samples were 4.72 (± 0.29). The amorphous character of the investigated materials was confirmed by X-ray phase analysis. According to the results of scanning electron microscopy, it was found that the resulting powders have particles with a size of 1-20 μm. It was shown that the conditions of synthesis affected the specific surface area and porosity of the materials under study. By the method of low-temperature adsorption-thermodesorption of nitrogen it was established that silica-aluminas obtained under acidic conditions were microporous materials. For the sample obtained under alkaline conditions (pH = 10), the contribution of macropores is very significant. A decrease in surface area is observed as the pH of the synthesis increases. The Hammett indicator method was used to identify and quantify surface centers of different acidity. All studied silica-aluminas are characterized by the presence of both Brønsted basic (pKax from 7 to 12.8) and acidic (pKax from 0 to 7) centers, and Lewis basic (pKax from -4.4 to 0) with a pronounced maximum at pKax = 1.02. It was found that the synthesis conditions had a significant effect on the concentration of active centers. The values of the Hammett function are practically the same for the 3 studied silica-aluminas and describe the studied samples as materials of medium acidity. The variety of Lewis and Brønsted centers on the surface indicates the amphoteric properties of the materials under study. This gives the samples the properties of polyfunctional sorbents and catalysts.

A Theoretical Study of H2S Toxic Gas Adsorption on Pristine and Doped Monolayer (AlN)21 Using Density Functional Theory

2020 ◽  
Vol 12 (02) ◽  
pp. 99-111
Author(s):  
Jamal A. Shlaka ◽  
◽  
Abbas H. Abo Nasria
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Theoretical Study ◽  
Gas Adsorption ◽  
Aluminium Nitride ◽  
Functional Theory ◽  
Adsorption Sites ◽  
Gas Molecules ◽  
Toxic Gas ◽  
Center Ring

Been studying the interactions between graphene - like aluminium nitride P(AlN)21 nano ribbons doped and defect (AlN)21Sheet, Molecules and small toxic gas molecules ( H2S), were built for two different adsorption sites on graphene like aluminium nitride P(AlN)21. this was done by employing B3LYP density functional theory (DFT) with 6-31G*(d,p) using Gaussian 09 program, Gaussian viw5.0 package of programs and Nanotube Modeller program 2018. the adsorptions of H2S on P(AlN)21, (C) atoms-doped P(AL-N)20 sheet, D-P(AL-N)20 and D-(C)atoms-doped P(AL-N)19 (on atom) with (Ead) (-0.468eV),(-0.473 eV), (-0.457 eV), (-0.4478 eV) and (-0.454 eV), respectively, (Ead) of H2S on the center ring of the P(AL-N)21, (C) atoms-doped P(AL-N)20 sheet, D-P(AL-N)20 and D-(C,B)atoms-doped P(AL-N)19 sheet are (-0.280 eV),(-0.465 eV), (-0.405 eV), (-0.468 eV) and -0.282 eV), respectively, are weak physisorption . However, the adsorptions of H2S, on the ((AlN)20 -B and D- (AlN)19 -B), (on atom N and center ring the sheet) are a strong chemisorption because of the (Ead) larger than -0.5 eV, due to the strong interaction, the ((AlN)20-B and D-(AlN)19-B), could catalyst or activate, through the results that we obtained, which are the improvement of the sheet P(AlN)21 by doping and per forming a defect in, it that can be used to design sensors. DOI: http://dx.doi.org/10.31257/2018/JKP/2020/120210

scholarly journals Current Progress on the Surface Chemical Modification of Carbonaceous Materials

Coatings ◽  
2019 ◽  
Vol 9 (2) ◽  
pp. 103 ◽  
Author(s):  
Adeela Rehman ◽  
Mira Park ◽  
Soo-Jin Park
Keyword(s):  
Energy Storage ◽  
Chemical Modification ◽  
Adsorption Energy ◽  
Gas Adsorption ◽  
Activated Carbons ◽  
Research Areas ◽  
Precise Knowledge ◽  
Chemically Modified Surfaces ◽  
Main Emphasis ◽  
Modified Activated Carbons

Carbon-based materials is considered one of the oldest and extensively studied research areas related to gas adsorption, energy storage and wastewater treatment for removing organic and inorganic contaminants. Efficient adsorption on activated carbon relies heavily upon the surface chemistry and textural features of the main framework. The activation techniques and the nature of the precursor have strong impacts on surface functionalities. Consequently, the main emphasis for scientists is to innovate or improve the activation methods in an optimal way by selecting suitable precursors for desired adsorption. Various approaches, including acid treatment, base treatment and impregnation methods, have been used to design activated carbons with chemically modified surfaces. The present review article intends to deliver precise knowledge on efforts devoted by researchers to surface modification of activated carbons. Chemical modification approaches used to design modified activated carbons for gas adsorption, energy storage and water treatment are discussed here.

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