Sorption of tryalkoxysilane in low-cost porous silicates using a supercritical CO2 method

López-Aranguren, Pedro; Saurina, Javier; Vega, Lourdes F.; Domingo, Concepción

doi:10.1016/j.micromeso.2011.06.035

Cited by 29 publications

(36 citation statements)

References 40 publications

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“…The supercritical silanization of silica substrates was performed in scCO 2 using a setup and a procedure described elsewhere. 17 The optimal functionalization conditions were found at 408 K and 9 MPa with a reaction time of 300 min.…”

Section: Methodsmentioning

confidence: 99%

Analysis of CO₂ Adsorption in Amine-Functionalized Porous Silicas by Molecular Simulations

et al. 2015

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We present the results of a combined experimental−molecular simulations approach concerning the capacity for CO 2 adsorption of aminosilica hybrid products synthesized using supercritical fluids. Two porous supports were examined for amine functionalization, an ordered mesoporous silica (MCM-41) and a disordered silica gel (SG40). The textural properties of the studied materials were analyzed by low-temperature N 2 adsorption−desorption isotherms and compared to those of molecular simulations using the grand canonical Monte Carlo simulation method. The CO 2 adsorption capacity of these materials was evaluated by recording CO 2 adsorption isotherms up to 100 kPa. Molecular simulations of the CO 2 adsorption behavior of selected samples were performed to gain a fundamental understanding of the effect of functionalization. This study shows that in the functionalized materials, the distance between nitrogen atoms of the grafted amines is a critical factor for the occurrence of CO 2 chemisorption, providing some insight into key parameters for designing adsorbent materials for CO 2 capture and separation. The relationship between the adsorption results with N 2 and CO 2 allow us to compare the potential applications of the materials in CO 2 adsorption and separation processes. A correlation of the N 2 adsorption at a given pressure with the CO 2 adsorption at a different pressure allowed the prediction of which materials will perform well for these processes. The hybrid products with high amine density have desirable features required for industrial sorbents, such as an enhanced CO 2 adsorption capacity and selectivity.

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Section: Methodsmentioning

confidence: 99%

Analysis of CO₂ Adsorption in Amine-Functionalized Porous Silicas by Molecular Simulations

et al. 2015

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“…Ammonium chloride (NH 4 Cl) and poly(ethylene glycol)-block-poly(propylene glycol)-block-poly(ethylene glycol) (pluronic P123, EO 20 PO 70 EO 20 , M n E5800) were purchased from Sigma-Aldrich Chemicals. Commercial TiO 2 was bought from Acros Organics.…”

Section: Reagentsmentioning

confidence: 99%

“…Good solvation properties of Sc-CO 2 are able to facilitate the transfer of metal precursors into SBA-15 channels to generate nanoparticles without blockage of mesopores. In addition, the solvents and impurities are easily removed after reaction, ensuring formation of pure materials [20]. Liu et al [21] have prepared Ti-SBA-15 materials with Ti incorporated into the framework of SBA-15 in supercritical CO 2 -ethanol solution through a post-synthesis.…”

Section: Introductionmentioning

confidence: 99%

Synthesis of TiO2 nanoparticles on mesoporous aluminosilicate Al-SBA-15 in supercritical CO2 for photocatalytic decolorization of methylene blue

Chang

Wang

Xie

et al. 2013

Ceramics International

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“…The supercritical silanization of the substrates was performed in batch mode in a high-pressure equipment described elsewhere. 8 The alkylsilanes used have a relatively high solubility in scCO 2 under the experimental conditions employed. Hence, experiments were performed by charging the reactor with the solid substrate, the liquid silane, and scCO 2 at the desired pressure (P) and temperature (T) during a reaction time (t) ( Table 1).…”

Section: Methodsmentioning

confidence: 99%

“…16 In this work, a supercritical silanization method was used for the postmodification of the internal surface of porous substrates. 8,17 Monoalkyltrialkoxy (R-Si(OH) 3 ) and trialkylmonoalkoxy (R 3 -SiOH) silanes were used for the study.…”

Section: Introductionmentioning

confidence: 99%

Alkylsilane-Functionalized Microporous and Mesoporous Materials: Molecular Simulation and Experimental Analysis of Gas Adsorption

Builes¹,

López-Aranguren²,

Fraile³

et al. 2012

J. Phys. Chem. C

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Solid sorbents are considered as a potentially less-energy-intensive alternative to the use of liquids for the removal and separation of liquid and gaseous fluids. The control of the surface characteristics of porous inorganic materials via the deposition of an organic layer is of great interest for tailoring the properties of the sorbent. For instance, organic functionalization of traditional solid sorbents (micro-and mesoporous silica and silicates) allows tuning their surface properties, such as hydrophilicity or hydrophobicity and surface reactivity. However, the underlying mechanism of the sorption process in highly complex organic functionalized materials is not yet fully understood. This incomplete understanding limits the possibilities of designing optimal adsorbents for different applications increasing the interest in performing complementary experimental-simulation studies. In this work, the adsorption of N 2 in alkylsilane-modified disordered mesoporous silica (silica gel 40) and crystalline aluminosilicate (zeolite Y) is analyzed by a combination of experiments and simulations. The goal of the adsorption simulation study was twofold: first, to assess the ability of using grand canonical Monte Carlo to obtain quantitative predictions of the adsorption characteristics of gases on alkylsilane postfunctionalized products and, second, to provide new insights into the adsorption mechanism. A supercritical silanization experimental method was used for the postmodification of the internal surface of the studied porous substrates. This work demonstrates that even though the models of amorphous hybrid materials require simplifications related to the cell size and silane polymerization modes, it is possible to use these models to obtain an adequate insight of what happens in the macroscopic systems. These models allow us to acquire information on the mechanisms of silane functionalization and the interactions of the support and silane chains with the adsorbed gases.

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Sorption of tryalkoxysilane in low-cost porous silicates using a supercritical CO2 method

Cited by 29 publications

References 40 publications

Analysis of CO₂ Adsorption in Amine-Functionalized Porous Silicas by Molecular Simulations

Analysis of CO₂ Adsorption in Amine-Functionalized Porous Silicas by Molecular Simulations

Synthesis of TiO2 nanoparticles on mesoporous aluminosilicate Al-SBA-15 in supercritical CO2 for photocatalytic decolorization of methylene blue

Alkylsilane-Functionalized Microporous and Mesoporous Materials: Molecular Simulation and Experimental Analysis of Gas Adsorption

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Sorption of tryalkoxysilane in low-cost porous silicates using a supercritical CO2 method

Cited by 29 publications

References 40 publications

Analysis of CO2 Adsorption in Amine-Functionalized Porous Silicas by Molecular Simulations

Analysis of CO2 Adsorption in Amine-Functionalized Porous Silicas by Molecular Simulations

Synthesis of TiO2 nanoparticles on mesoporous aluminosilicate Al-SBA-15 in supercritical CO2 for photocatalytic decolorization of methylene blue

Alkylsilane-Functionalized Microporous and Mesoporous Materials: Molecular Simulation and Experimental Analysis of Gas Adsorption

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Resources

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Analysis of CO₂ Adsorption in Amine-Functionalized Porous Silicas by Molecular Simulations

Analysis of CO₂ Adsorption in Amine-Functionalized Porous Silicas by Molecular Simulations