A Universal Standard Archive File for Adsorption Data

Langmuir ◽  
2021 ◽  
Author(s):  
Jack D. Evans ◽  
Volodymyr Bon ◽  
Irena Senkovska ◽  
Stefan Kaskel
2021 ◽  
Author(s):  
Jack D. Evans ◽  
Volodymyr Bon ◽  
Irena Senkovska ◽  
Stefan Kaskel

<div>New advanced adsorbents are a crucial driver for the development of energy and environmental applications. Tremendous potential is provided by machine learning and data mining techniques, as these approaches can identify the most appropriate adsorbent for a particular application. However, the current scientific reporting of adsorption isotherms in graphs and figures is not adequate to reproduce original experimentally measured data.</div><div><br></div><div>This report proposes the specification of a new standard adsorption information file (AIF) inspired by the ubiquitous crystallographic information file (CIF) and based on the self-defining text archive and retrieval (STAR) procedure, also used to represent biological nuclear magnetic resonance experiments (NMR-STAR). The AIF is a flexible and easily extended free-format archive file that is readily human and machine readable</div><div>and is simple to edit using a basic text editor or parse for database curation. This format represents the first steps toward an open adsorption data format as a basis for a decentralized adsorption data library.</div><div><br></div><div>An open format facilitates the electronic transmission of adsorption data between laboratories, journals and larger databases, which is key in the effort to increase open science in the field of porous materials in the future.</div>


2021 ◽  
Author(s):  
Jack D. Evans ◽  
Volodymyr Bon ◽  
Irena Senkovska ◽  
Stefan Kaskel

<div>New advanced adsorbents are a crucial driver for the development of energy and environmental applications. Tremendous potential is provided by machine learning and data mining techniques, as these approaches can identify the most appropriate adsorbent for a particular application. However, the current scientific reporting of adsorption isotherms in graphs and figures is not adequate to reproduce original experimentally measured data.</div><div><br></div><div>This report proposes the specification of a new standard adsorption information file (AIF) inspired by the ubiquitous crystallographic information file (CIF) and based on the self-defining text archive and retrieval (STAR) procedure, also used to represent biological nuclear magnetic resonance experiments (NMR-STAR). The AIF is a flexible and easily extended free-format archive file that is readily human and machine readable</div><div>and is simple to edit using a basic text editor or parse for database curation. This format represents the first steps toward an open adsorption data format as a basis for a decentralized adsorption data library.</div><div><br></div><div>An open format facilitates the electronic transmission of adsorption data between laboratories, journals and larger databases, which is key in the effort to increase open science in the field of porous materials in the future.</div>


2019 ◽  
Author(s):  
Chem Int

The anti-corrosive properties of sulphadoxine + pyrimethamine (S+P) on the corrosion of pipeline steel in acidic environment were investigated using electrochemical techniques. The results obtained showed an excellent inhibition efficiency which increased with increase in inhibitor concentration. The corrosion inhibition efficiency increased up to 99.04 % at 0.01M S+P and decreased with rise in temperature down to 85.93 % at 333 K and 0.01 M S+P, suggesting a physiosorptive mechanism of adsorption. Also the adsorption data was fitted into Langmuir and Temkin adsorption isotherms, while the inhibitive action was shown to proceed by mixed inhibition mode.


2020 ◽  
Vol 16 (7) ◽  
pp. 880-892
Author(s):  
Şerife Parlayıcı ◽  
Kübra Tuna Sezer ◽  
Erol Pehlivan

Background: In this work, Cr (VI) adsorption on nano-ZrO2๏TiO2 impregnated orange wood sawdust (Zr๏Ti/OWS) and nano-ZrO2๏TiO2 impregnated peach stone shell (Zr๏Ti/PSS) was investigated by applying different adsorption parameters such as Cr (VI) concentrations, contact time, adsorbent dose, and pH for all adsorbents. Methods: The adsorbents were characterized by SEM and FT-IR. The equilibrium status was achieved after 120 min of contact time and optimum pH value around 2 were determined for Cr (VI) adsorption. Adsorption data in the equilibrium is well-assembled by the Langmuir model during the adsorption process. Results: Langmuir isotherm model showed a maximum adsorption value of OWS: 21.65 mg/g and Zr๏Ti/OWS: 27.25 mg/g. The same isotherm displayed a maximum adsorption value of PSS: 17.64 mg/g, and Zr๏Ti/PSS: 31.15 mg/g. Pseudo-second-order kinetic models (R2=0.99) were found to be the best models for describing the Cr (VI) adsorption reactions. Conclusıon: Thermodynamic parameters such as changes in ΔG°, ΔH°, and ΔS° have been estimated, and the process was found to be spontaneous.


2021 ◽  
Vol 31 (1) ◽  
Author(s):  
Buhani ◽  
Tri Agus Wijayanti ◽  
Suharso ◽  
Sumadi ◽  
Muslim Ansori

AbstractBiomass of algae is a very potent adsorbent for absorbing aqueous waste containing heavy metals and organic dyes. This study purposes to confirm the ability of adsorbents from green algae Nannochloropsis sp. modified with silica (ASN) and followed by coating magnetite particles (ASN-MPs) to absorb simultaneously the mixture of Methylene Blue (ME) and Cu(II) cations in aqueous solution. Simultaneous sorption of ME and Cu(II) cations to ASN and ASN-MPs was carried out by the batch method with the interaction pH condition 7, contact time 90 min, and initial concentrations of ME and Cu(II) cations (0.1–1.0 mM). Based on adsorption data, Cu(II) cations have a greater adsorption rate and capacity (qm) compared to ME at the same contact time and initial concentration. The adsorption capacity (qm) values of the bi-component ME and Cu(II) cation mixture in ASN and ASN-MPs were 1.39 × 10− 1 and 5.32 × 10− 1 mmol g− 1, respectively, with the binary Langmuir adsorption isotherm constant for Cu(II) cations greater than ME. Modified adsorbent from algae Nannochloropsis sp. with silica matrix and magnetite particle coating is an adsorbent that has a high effectiveness in the collective sorption of ME and Cu(II) cations. Therefore, these adsorbents can be used for the adsorption of cation mixtures of heavy metals and organic dyes that are cationic in solution.


2019 ◽  
Vol 189 ◽  
pp. 15-27 ◽  
Author(s):  
Manuel María Mahamud ◽  
Juan María Menéndez ◽  
Alejandra Álvarez

2012 ◽  
Vol 510-511 ◽  
pp. 271-276 ◽  
Author(s):  
Tayyaba Asim ◽  
R. Ahmed ◽  
M.S. Ansari

Nickel deposited on carbon has been used as adsorbent to recover Zn (II) from aqueous system. The adsorbent was synthesized by depositing nickel nitrate on carbon under inert conditions and decomposing it to nickel by raising the temperature, washing and vacuum drying. Various techniques including XRD, FTIR, and SEM were employed for its characterization. FTIR showed that the nickel deposition enhanced the carbon functionalization due to presence of OH, C=O and C-O groups.Average crystallite size ofabout 9 nm was determined from XRD. Nickel deposition resulted in further division particles as indicated from the morphological study. Zn (II) was subjected to adsorptionon the synthesized adsorbent. It was observed that the rate of adsorption increased significantly on the nickel deposited carbon than the carbon alone. Morris-Weber, Lagergren and Reichenberg models were applied to find out the type and rate of adsorption employingfirst and second order rate equations.The adsorption data were applied toLangmuir, Freundlich and D-R isotherms and values of isotherm constants were calculated and were higher for Ni/C than carbon alone. The mean free energy of zinc sorption on carbon and Ni/C are 16.67 and 18.26 kJmol-1 which shows chemisorption. Thermodynamic studies were done to find out the effect of temperature on sorption. Positive values of ΔH and negative values of ΔG show endothermic and spontaneous type of sorption.


Solid Earth ◽  
2015 ◽  
Vol 6 (1) ◽  
pp. 337-346 ◽  
Author(s):  
N. Seco-Reigosa ◽  
L. Cutillas-Barreiro ◽  
J. C. Nóvoa-Muñoz ◽  
M. Arias-Estévez ◽  
E. Álvarez-Rodríguez ◽  
...  

Abstract. As(V) adsorption and desorption were studied on granitic material, coarse and fine mussel shell and granitic material amended with 12 and 24 t ha−1 fine shell, investigating the effect of different As(V) concentrations and different pH as well as the fractions where the adsorbed As(V) was retained. As(V) adsorption was higher on fine than on coarse shell. Mussel shell amendment increased As(V) adsorption on granitic material. Adsorption data corresponding to the unamended and shell-amended granitic material were satisfactory fitted to the Langmuir and Freundlich models. Desorption was always <19% when the highest As(V) concentration (100 mg L−1) was added. Regarding the effect of pH, the granitic material showed its highest adsorption (66%) at pH <6, and it was lower as pH increased. Fine shell presented notable adsorption in the whole pH range between 6 and 12, with a maximum of 83%. The shell-amended granitic material showed high As(V) adsorption, with a maximum (99%) at pH near 8, but decreased as pH increased. Desorption varying pH was always <26%. In the granitic material, desorption increased progressively when pH increased from 4 to 6, contrary to what happened to mussel shell. Regarding the fractionation of the adsorbed As(V), most of it was in the soluble fraction (weakly bound). The granitic material did not show high As(V) retention capacity, which could facilitate As(V) transfer to water courses and to the food chain in case of As(V) compounds being applied on this material; however, the mussel shell amendment increased As(V) retention, making this practice recommendable.


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