Modeling hydration of graphene oxide (GO) – Does size matter?

Makieieva, Natalina; Kupka, Teobald; Stobiński, Leszek; Małolepszy, Artur

doi:10.1016/j.molstruc.2024.139317

Journal of Molecular Structure

2024

DOI: 10.1016/j.molstruc.2024.139317

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Modeling hydration of graphene oxide (GO) – Does size matter?

Natalina Makieieva,

Teobald Kupka,

Leszek Stobiński

et al.

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2024

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Cited by 1 publication

References 95 publications

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Carbon Nanotubes in Cement—A New Approach for Building Composites and Its Influence on Environmental Effect of Material

Kupka,

Makieieva,

Świsłowski

et al. 2024

Molecules

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An addition of carbon nanostructures to cement paste is problematic due to the difficulties in obtaining homogenous mixtures. The paper reports on a more effective way of mixing carboxylated multi-walled carbon nanotubes (MWCNT-COOH) in cement pastes. The additional biological impact of the studied nanomodified cement was analyzed in the case of two moss species’ vitality. The applied approach of obtaining a homogeneous mixture is based on intense mechanochemical mixing of MWCNT-COOH together with polycarboxylate superplasticizer (SP). As a result, a more homogenous suspension of MWCNT-COOH within a liquid superplasticizer, suitable for addition to hydrophilic cement paste, was obtained. FT-IR/Raman spectroscopy was used for materials’ characterization. To explain the mixing process at the molecular level, systematic theoretical studies using density functional theory (DFT) were performed. The structures, interaction energies and IR/Raman vibrational spectra of model carboxylic acids, mixed with functionalized SWCNTs as simplified models of real MWCNTs, were obtained. Due to the controversial opinions on the environmental hazards of carbon nanostructures, additional in vivo studies were performed. In this case, effects of cement modified by the addition of small amounts of MWCNT-COOH with SP in comparison to the composite without carbon nanostructures and control subsoil on the vitality of mosses Polytrichum formosum and Pseudoscleropodium purum were studied.

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Carbon Nanotubes in Cement—A New Approach for Building Composites and Its Influence on Environmental Effect of Material

Kupka,

Makieieva,

Świsłowski

et al. 2024

Molecules

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Modeling hydration of graphene oxide (GO) – Does size matter?

Cited by 1 publication

References 95 publications

Carbon Nanotubes in Cement—A New Approach for Building Composites and Its Influence on Environmental Effect of Material

Carbon Nanotubes in Cement—A New Approach for Building Composites and Its Influence on Environmental Effect of Material

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