Evidence map›Paper›PMID 41471832›Full record

ArticleMolecules (Basel, Switzerland)2025

Zeolite Heulandite Modified with N,N'-bis(3-Triethoxysilylpropyl)thiourea-Adsorption of Ni(II) and Cu(II) Ions: A Quantum Chemical Insight into the Mechanism.

Elena G Filatova, Arailym M Nalibayeva, Oksana V Lebedeva, Sergey A Beznosyuk, Andrey V Ryabykh, Elizaveta N Oborina, Yerlan N Abdikalykov, Mirgul Zh Turmukhanova, Igor B Rozentsveig, Sergey N Adamovich

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In one paragraph

Article in Molecules (Basel, Switzerland), 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.

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1 · What the graph read from it

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2 · The registry

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3 · Its place in the literature

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4 · The record

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5 · Who and what money

Authors and funding

10 authors.

Elena G FilatovaDepartment of Chemistry and Biotechnology Named After V.V. Tuturina, Irkutsk National Research Technical University, 83 Lermontov Street, 664074 Irkutsk, Russia.ORCID 0000-0002-3387-2089
Arailym M NalibayevaD.V. Sokolskiy Institute of Fuel, Catalysis and Electrochemistry, 142 Kunaev Street, 050010 Almaty, Kazakhstan.
Oksana V LebedevaDepartment of Chemistry and Biotechnology Named After V.V. Tuturina, Irkutsk National Research Technical University, 83 Lermontov Street, 664074 Irkutsk, Russia.
Sergey A BeznosyukDepartment of Physical and Inorganic Chemistry, Altai State University, 61 Lenin Avenue, 656049 Barnaul, Russia.
Andrey V RyabykhDepartment of Physical and Inorganic Chemistry, Altai State University, 61 Lenin Avenue, 656049 Barnaul, Russia.
Elizaveta N OborinaA.E. Favorsky Irkutsk Institute of Chemistry, Siberian Branch of the Russian Academy of Sciences, 1 Favorsky Street, 664033 Irkutsk, Russia.
Yerlan N AbdikalykovD.V. Sokolskiy Institute of Fuel, Catalysis and Electrochemistry, 142 Kunaev Street, 050010 Almaty, Kazakhstan.
Mirgul Zh TurmukhanovaFaculty of Chemistry and Chemical Technology, Al-Farabi Kazakh National University, 71 Al-Farabi Avenue, 050040 Almaty, Kazakhstan.
Igor B RozentsveigA.E. Favorsky Irkutsk Institute of Chemistry, Siberian Branch of the Russian Academy of Sciences, 1 Favorsky Street, 664033 Irkutsk, Russia.ORCID 0000-0001-7817-7816
Sergey N AdamovichA.E. Favorsky Irkutsk Institute of Chemistry, Siberian Branch of the Russian Academy of Sciences, 1 Favorsky Street, 664033 Irkutsk, Russia.ORCID 0000-0003-1276-924X

Funding

Science Committee of the Ministry of Science and Higher Education of the Republic of Kazakhstan AP23489131
6 · The paper itself

Abstract

A new sorption material (GS) was obtained by the modification of heulandite zeolite (G) with N,N'-bis-(3-triethoxysilylpropyl)thiocarbamide (S). The composition, structure, and surface morphology of the GS material were confirmed using elemental analysis, IR-, NMR-spectroscopy, X-ray diffraction, scanning electron microscopy (SEM), energy dispersive X-ray spectroscopy (EDX), elemental mapping, and nitrogen adsorption/desorption (BET). The potential of GS as a sorbent for the removal of Cu(II) and Ni(II) ions from concentrated solutions was demonstrated. The nature of the adsorption of Cu(II) and Ni(II) ions was investigated using the Langmuir, Freundlich, and Dubinin-Radushkevich models. The adsorption value of Cu(II) and Ni(II) ions by the GS sorbent was found to be 1.7 and 2.1 times higher than that of heulandite, amounting to 0.128 mmol/g (8.1 mg/g) and 0.214 mmol/g (12.6 mg/g), respectively. The free energy of adsorption E for the adsorption of Cu(II) and Ni(II) ions was determined to be 12.5 and 16.2 kJ/mol, respectively. Calculations of changes in Gibbs energy based on quantum chemical modeling results (ΔG2980 = -38.5 kJ/mol for Ni and ΔG2980 = -56.5 kJ/mol for Cu) confirmed that adsorption of heavy metal ions onto the GS sample occurs through the formation of metal ion coordination complexes with the sorbent's functional groups (chemosorption). The proposed method of obtaining new sorption materials based on natural heulandite is straightforward and cost-effective, enabling the production of high-capacity sorption products.

Indexed as

adsorptionheavy metalsmodificationnatural zeoliteN,N′-bis(3-triethoxysilylpropyl)thioureaquantum chemical modeling

Identifiers

PMID41471832
PMCPMC12736353

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