Molecular simulation of the ion exchange behavior of Cu2+, Cd2+ and Pb2+ ions on different zeolites exchanged with sodium

Khanmohammadi, Hossein; Bayati, Behrouz; Shahrouzi, Javad Rahbar; Babaluo, Ali Akbar; Ghorbani, Asma

doi:10.1016/j.jece.2019.103040

Cited by 42 publications

(15 citation statements)

References 27 publications

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“…Figure 4 displays the MSD as a function of time for both H 2 and CO 2 molecule diffusion in the ZIF-8-based membrane at 298 K and for a set loading of 10 molecules/cell. The relationship between the observed MSD versus time is linear, with a very good approximation, as also observed in other works in the literature [31,32].…”

Section: Resultssupporting

confidence: 84%

Study on the Separation of H2 from CO2 Using a ZIF-8 Membrane by Molecular Simulation and Maxwell-Stefan Model

et al. 2019

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The purification of H2-rich streams using membranes represents an important separation process, particularly important in the viewpoint of pre-combustion CO2 capture. In this study, the separation of H2 from a mixture containing H2 and CO2 using a zeolitic imidazolate framework (ZIF)-8 membrane is proposed from a theoretical point of view. For this purpose, the adsorption and diffusion coefficients of H2 and CO2 were considered by molecular simulation. The adsorption of these gases followed the Langmuir model, and the diffusion coefficient of H2 was much higher than that of CO2. Then, using the Maxwell–Stefan model, the H2 and CO2 permeances and H2/CO2 permselectivities in the H2–CO2 mixtures were evaluated. Despite the fact that adsorption of CO2 was higher than H2, owing to the simultaneous interference of adsorption and diffusion processes in the membrane, H2 permeation was more pronounced than CO2. The modeling results showed that, for a ZIF-8 membrane, the H2/CO2 permselectivity for the H2–CO2 binary mixture 80/20 ranges between 28 and 32 at ambient temperature.

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Section: Resultssupporting

confidence: 84%

Study on the Separation of H2 from CO2 Using a ZIF-8 Membrane by Molecular Simulation and Maxwell-Stefan Model

et al. 2019

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“…This selective sorption behavior is explained by the individual structure of the zeolites, the properties of the metal cation such as hydration diameter and hydration energy and the distinct interactions between a certain zeolite and Me ions at the solid-liquid interface [5,56,59]. The porous zeolitic network plays a decisive role in the attraction and repulsion of Me ions, as indicated, e.g., by molecular simulations of selective cation exchange reactions in different zeolite framework structures [61]. Comparing the hydrated radii of the metal cations (Table 5) with the pore openings of the zeolites (Figure 1), it appears that some water must have been separated from the cations during the ion exchange process [5].…”

Section: Competitive Me Ion Removal From Waste Solutionmentioning

confidence: 98%

Synthesis of Zeolites from Fine-Grained Perlite and Their Application as Sorbents

Painer

Baldermann

Gallien³

et al. 2022

Materials

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The hydrothermal alteration of perlite into zeolites was studied using a two-step approach. Firstly, perlite powder was transformed into Na-P1 (GIS) or hydro(xy)sodalite (SOD) zeolites at 100 °C and 24 h using 2 or 5 M NaOH solutions. Secondly, the Si:Al molar ratio of the reacted Si-rich solution was adjusted to 1 by Na-aluminate addition to produce zeolite A (LTA) at 65 or 95 °C and 6 or 24 h at an efficiency of 90 ± 9% for Al and 93 ± 6% for Si conversion. The performance of these zeolites for metal ion removal and water softening applications was assessed by sorption experiments using an artificial waste solution containing 4 mmol/L of metal ions (Me2+: Ca2+, Mg2+, Ba2+ and Zn2+) and local tap water (2.1 mmol/L Ca2+ and 0.6 mmol/L Mg2+) at 25 °C. The removal capacity of the LTA-zeolite ranged from 2.69 to 2.86 mmol/g for Me2+ (=240–275 mg/g), which is similar to commercial zeolite A (2.73 mmol/g) and GIS-zeolite (2.69 mmol/g), and significantly higher compared to the perlite powder (0.56 mmol/g) and SOD-zeolite (0.88 mmol/g). The best-performing LTA-zeolite removed 99.8% Ca2+ and 93.4% Mg2+ from tap water. Our results demonstrate the applicability of the LTA-zeolites from perlite for water treatment and softening applications.

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“…Zeolites are hydrated aluminosilicate microporous materials that are widely used in catalysis, adsorption, and ion exchange [1][2][3]. Recently, zeolites in nanometer scale receive enormous scientific and commercial attentions due to their unique size-and shape-dependent properties (e.g.…”

Section: Introductionmentioning

confidence: 99%

Recyclable synthesis of Cs-ABW zeolite nanocrystals from non-reacted mother liquors with excellent catalytic henry reaction performance

Ghrear

Vaulot

et al. 2020

Journal of Environmental Chemical Engineering

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Nanoscale zeolites are very attractive for advanced applications such as in catalysis, adsorption, supports, sensors and carriers. Green synthesis of these materials is highly appreciated aiming to increase product yield while chemical waste and production cost can be reduced. Here we report high-yield, low-cost and green synthesis of nanosized Cs-ABW zeolite by recycling and using the non-reacted mother liquors waste solutions produced from the hydrothermal Cs-ABW zeolite synthesis. The nanocrystalline Cs-ABW solid product of each successive batch was collected and characterized while the non-reacted mother liquors were recovered and reused for subsequent synthesis of nanozeolites. The synthesized Cs-ABW zeolite nanocrystals from three subsequent cycles possessed fairly similar properties and they exhibited excellent catalytic performance in Henry (nitroaldol) reaction of benzaldehyde and nitroethane thanks to their basic sites, (Si-O-Al)-Cs + , located at the external surface of the zeolite. This approach hence suggests a low-cost and eco-friendly preparation of Cs-ABW zeolite nanocrystals since less chemical waste is disposed while the product yield can be significantly improved which are ideal for industrial scale-up process.

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Molecular simulation of the ion exchange behavior of Cu2+, Cd2+ and Pb2+ ions on different zeolites exchanged with sodium

Cited by 42 publications

References 27 publications

Study on the Separation of H2 from CO2 Using a ZIF-8 Membrane by Molecular Simulation and Maxwell-Stefan Model

Study on the Separation of H2 from CO2 Using a ZIF-8 Membrane by Molecular Simulation and Maxwell-Stefan Model

Synthesis of Zeolites from Fine-Grained Perlite and Their Application as Sorbents

Recyclable synthesis of Cs-ABW zeolite nanocrystals from non-reacted mother liquors with excellent catalytic henry reaction performance

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