Study of the adsorption mechanisms of NH3, H2S and SO2 on sepiolite using molecular dynamics simulations

Zhou, Ji; Wang, Zuozhang; Alcántara, Ana C. S.; Ding, Yanhuai

doi:10.1180/clm.2022.22

Cited by 7 publications

(3 citation statements)

References 31 publications

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“…Brigatti et al (1996) stated that heavy metal cation sorption can occur at the surface of broken edges, in channels and at specific sites of sepiolite according to crystal-chemical affinity. The adsorption of NH 3 , H 2 S and SO 2 (Zhou et al, 2023), ethylene gas (Erdoğan & Esenli, 2021), phenanthrene (González-Santamaría et al, 2017), Ni 2+ ions (Kıpçak et al, 2020) and red dye (Çoruh et al, 2011) on sepiolite have also been reported previously.…”

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confidence: 65%

Magnetic sepiolite/iron(III) oxide composite for the adsorption of lead(II) ions from aqueous solutions

Uygun,

Murat,

Çakal

2023

Clay miner.

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Clay minerals are effective adsorbents used for the remediation of toxic heavy metals from wastewater due to their large surface areas and great cation-exchange capacities. In this study, the removal of lead ions from aqueous solutions via adsorption was investigated using raw and iron-modified Turkish sepiolite. The aim of this study was to examine the effects of modification and environmental conditions on the sorptive properties of sepiolite samples. Initially, the raw sepiolite (Sep) and magnetic sepiolite/Fe2O3 composite (MagSep) prepared using the co-precipitation method were characterized via mineralogical and petrographical means and the physicochemical properties were determined. Then, the batch adsorption of lead (Pb2+) ions on the sepiolite samples was examined under various conditions (solution pH, adsorbent dosage, contact time, initial Pb2+ ion concentration, temperature, shaking rate). The adsorption capacity of MagSep was found to be greater than that of Sep under all experimental conditions. The results showed that the adsorption process followed a pseudo-second-order kinetic model, and the Langmuir isotherm best correlated with the experimental data. The maximum adsorption capacities were found to be 60.6 and 90.1 mg g–1 for Sep and MagSep, respectively. The characterization of the Pb-adsorbed sepiolite samples showed that lead formed covalent bonds with the sepiolite samples and attached to the sepiolite surface mainly through ion exchange. MagSep can be used efficiently in the field of wastewater treatment for the removal of Pb2+ ions as it does not release any toxic pollutants and can be separated easily with the use of a magnetic field.

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confidence: 65%

Magnetic sepiolite/iron(III) oxide composite for the adsorption of lead(II) ions from aqueous solutions

Uygun,

Murat,

Çakal

2023

Clay miner.

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“…Sepiolite is an abundant, natural and nontoxic phyllosilicate with a compositional formula of Mg 8 Si 12 O 30 (OH 2 ) 4 •8H 2 O [1,2]. The structure of sepiolite contains extended silicon-oxygen sheets, making it a layered silicate mineral.…”

Section: Introductionmentioning

confidence: 99%

Preparation of multi-functional sepiolite-based foam concrete and its adsorption and thermal insulation properties

Zhou,

Zhao,

Zou

et al. 2024

Mater. Res. Express

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Foam concrete is one of the most valuable porous materials used in civil and industrial buildings. Sepiolite, a fibrous hydrous magnesium silicate, possesses exceptional qualities such as a low thermal conductivity, non-polluting nature, and eco-friendliness. In this paper, a multi-functional sepiolite-based foam concrete has been fabricated using a physical foaming technology. The high sepiolite content and unique hierarchical structure endow the foam concrete with excellent adsorption and thermal insulation properties. The foam concrete exhibits a high adsorption capacity towards methanal and ammonia gases. Furthermore, the foam concrete, with its high porosity and good forming ability, shows great potential for application in thermal-insulation materials and wastewater treatment.

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“…Camara et al (2019) found through MD simulation that poly(N-vinyl caprolactam) (PNVCL) had an excellent swelling-inhibitory ability for Na-montmorillonite (Mnt) by hindering the migration of interlayer particles, and these authors predicted the stability of PNVCL's response at high temperatures. Zhou et al (2022) found that sepiolite-adsorption capacities for gases decreased in the order SO 2 > H 2 S > NH 3 , and the diffusion coefficients were affected by the number of gas/water molecules. Parameters such as diffusion coefficient and atomic residence time have been calculated by Peng et al (2020), demonstrating that NH 4+ remains for longer than Na + on the hexagonal pores on the surface of Mnt, forming a more stable hydration layer under low-hydration conditions.…”

mentioning

confidence: 99%

Molecular simulation of the adsorption of the hydration inhibitor N1,N1’-(ethane-1,2-diethyl)bis(N1-(2-aminoethyl)ethane-1,2-diamine onto montmorillonite

et al. 2022

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Study of the adsorption mechanisms of NH₃, H₂S and SO₂ on sepiolite using molecular dynamics simulations

Abstract: This is a 'preproof' accepted article for Clay Minerals. This version may be subject to change during the production process.

Cited by 7 publications

References 31 publications

Magnetic sepiolite/iron(III) oxide composite for the adsorption of lead(II) ions from aqueous solutions

Magnetic sepiolite/iron(III) oxide composite for the adsorption of lead(II) ions from aqueous solutions

Preparation of multi-functional sepiolite-based foam concrete and its adsorption and thermal insulation properties

Molecular simulation of the adsorption of the hydration inhibitor N1,N1’-(ethane-1,2-diethyl)bis(N1-(2-aminoethyl)ethane-1,2-diamine onto montmorillonite

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