Silanol Groups Research Articles

Cr6+ Loaded Lewis Acidic Sn‐Beta Zeolites as Reusable Catalysts for Selective Production of Light Olefins via Polyolefin Cracking

AbstractCatalysts for the selective recovery of light olefins from polyolefins should be developed to save limited fossil resources. It is previously revealed that Brønsted acid‐free Sn‐Beta zeolites selectively produced light olefins from polyolefin cracking. Brønsted acid sites ionize olefins by protonation and the generated carbenium ions are converted into other hydrocarbons via various reactions, thereby the elimination of their effects led to the improvement of light olefin production ability. However, the deactivation of zeolites by coke deposition is a critical problem for industrialization. Inhibition of coking deactivation is previously achieved by doping Cr6+ species connected to silanol groups in zeolites. This work aimed to inhibit coke deposition and realize selective and continuous production of light olefins through repetitive polyolefin catalytic cracking. Sn‐Beta zeolites are prepared with various crystallinity by changing the feed fluoride ions content in their synthesis and found that their activity on low‐density polyethylene (LDPE) cracking strongly depended on the feed F/Si ratios, implying the active sites for polyolefin cracking are Lewis acidic open‐Sn sites. Moreover, Cr6+‐doped Sn‐Beta zeolites showed over 45% light olefin yields even in the third LDPE cracking test, although excess Cr adding led to reduce the catalytic activity of Sn‐Beta zeolites.

SYNTHESIS AND CHARACTERIZATION OF NANOPARTICLES FROM COAL FLY ASH

In this study, amorphous nanoparticles were extracted from fly ash using a sol-gel method. The obtained nanoparticles were characterized using XRF spectroscopy, XRD, FT-IR and TEM. The XRD curves show the presence of both crystalline and amorphous phases. FT-IR analysis indicated the presence of silanol and siloxane groups. Upon analysis, the primary nanoparticles were found to exhibit a roughly spherical shape with an average size of approximately 65 nm. The findings of this study demonstrate the feasibility of applying the sol-gel method to synthesize nanoparticles derived from coal fly ash (CFA), thereby avoiding other expensive and energy-intensive methods of nanoparticle synthesis.

Exploring the Relationship Between Electrical Characteristics and Changes in Chemical Composition and Structure of OSG Low-K Films Under Thermal Annealing

The influence of annealing temperature on the chemical, structural, and electrophysical properties of porous OSG low-k films containing terminal methyl groups was investigated. The films were deposited via spin coating, followed by drying at 200 °C and annealing at temperatures ranging from 350 °C to 900 °C. In the temperature range of 350–450 °C, thermal degradation of surfactants occurs along with the formation of a silicon-oxygen framework, which is accompanied by an increase in pore radius from 1.2 nm to 1.5 nm. At 600–700 °C, complete destruction of methyl groups occurs, leading to the development of micropores. FTIR spectroscopy reveals that after annealing at 700 °C, the concentration of silanol groups and water reaches its maximum. By 900 °C, open porosity is no longer observed, and the film resembles dense SiO2. JV measurements show that the film annealed at 450 °C exhibits minimal leakage currents, approximately 5 × 10−11 A/cm2 at 700 kV/cm. This can be attributed to the near-complete removal of surfactant residues and non-condensed silanols, along with non-critical thermal degradation of methyl groups. Leakage current models obtained at various annealing temperatures suggest that the predominant charge carrier transfer mechanism is Poole–Frenkel emission.

Enhanced Gallium Extraction Using Silane-Modified Mesoporous Silica Synthesized from Coal Gasification Slag

This study presents an innovative approach to utilize coal gasification coarse slag (CGCS) for efficient and low-cost gallium extraction. Using a one-step acid leaching process, mesoporous silica with a surface area of 258 m2/g and a pore volume of 0.15 cm3/g was synthesized. The properties of CGCS before and after acid leaching were characterized through SEM, FTIR, XRD, and BET analyses, with optimal conditions identified for maximizing specific surface area and generating saturated silanol groups. The prepared mesoporous silica demonstrated a 99% Ga(III) adsorption efficiency. Adsorption conditions were optimized, and adsorption kinetics, isotherms, and competitive adsorption behaviors were evaluated. Competitive adsorption with vanadium suggests potential application in Ga(III) extraction from vanadium-rich waste solutions. Furthermore, the recyclability of both the acid and adsorbent was explored, with the adsorbent maintaining over 85% adsorption efficiency after five cycles. The adsorption mechanism was further elucidated through SEM-EDS, XPS, and FTIR analyses. This work not only advances resource recovery from industrial waste but also offers a sustainable method for gallium extraction with industrial applications.

Role of Hydroxyl Groups in Zn-containing Nanosized MFI Zeolite for the Photocatalytic Oxidation of Methane.

The effective conversion of methane to a mixture of more valuable hydrocarbons and hydrogen under mild conditions is a significant scientific and practical challenge. Here, we synthesized Zn-containing nanosized MFI zeolite for direct oxidation of methane in the presence of H2O and air. The presence of the surface hydroxyl groups on nanosized MFI-type zeolite and their significant reduction in the Zn-containing nanosized MFI zeolite were confirmed with Infrared Fourier Transform (FTIR) spectroscopy. Incorporation of zinc atoms into the framework of nanosized MFI zeolite is revealed by Nuclear Magnetic Resonance, X-ray Diffraction and UV-Vis Spectroscopy. Unexpectedly, pure silica MFI zeolite exhibited the highest photocatalytic performance. Our findings demonstrated that large number of isolated silanol groups and silanol nests increase the formation of ⋅OH, and enhance the productivity of oxygenate compounds and C2H6, while the Zn incorporated into the zeolite framework or attached to the silanol nests of the nanosized zeolites are less efficient. A mechanism of photocatalytic methane oxidation is proposed. These findings provide insights into the development of active nanosized zeolite photocatalysts with an extended amount of surface hydroxyl groups that can play a key role in photocatalytic methane conversion.

Silicon dioxide incorporated cellulose acetate-mixed matrix membranes for Safranin-O removal from aqueous solutions.

Nanoparticle incorporated-mixed matrix membranes are renowned for their multifaceted advantages, including improved hydrophilicity, elevated solute rejection, enhanced mechanical robustness, and augmented chemical and thermal stability. The inherent hydrophilicity of silicon dioxide (SiO2) nanoparticles, due to silanol groups (Si-OH), along with their high porosity and surface area, renders them an ideal reinforcing filler within polymer matrices, significantly strengthening structural integrity of membranes. In this work, SiO2 nanoparticles were incorporated in a cellulose acetate (CA) matrix to prepare CA/SiO2 adsorptive membranes using phase inversion method. The performance of the membranes was assessed on the removal of Safranin-O (Sf-O) from aqueous solution. The physicochemical characterization of the synthesized membranes was assessed using contact angle, XRD, FE-SEM, EDS, FTIR, TGA, and tensile strength studies. The optimization studies on novel CA/SiO2 membrane revealed that the membrane with 2.5 wt.% of SiO2 in the CA matrix was the best in terms of Sf-O removal (approximately 100% dye removal) when the operating pH, initial dye concentration, and operating pressure were 9, 50 ppm, and 1 bar respectively. It is also found that 2.5 wt.% CA/SiO2 membrane has higher water permeability than other membranes. Incorporating SiO2 nanoparticles into a polymer matrix augments the structural, mechanical, and thermal properties of the resulting membranes while also enhancing water permeability, selectivity, and dye removal efficacy.

Low‐temperature bubble formation in silica glass

AbstractPhase separation was observed in silica glass following low‐temperature heat treatment in high water vapor pressure through the formation of bubbles. Although the 6 day diffusion treatment in saturated water vapor pressure at 250°C does not normally cause phase separation, the reactive fracture surface and subsurface damage caused by polishing with cerium oxide (CeO2) allowed for an increase in water absorption during treatment and heterogeneous nucleation of the bubbles at damaged sites. The sub‐surface damage, characteristic of blunt contact damage, was only revealed when the polished sample was etched. The formation of bubbles and polishing damage were observed in two silica glasses—one containing chlorine impurities and the other containing OH impurities. Raman spectra collected after fracture or polishing and water diffusion treatment demonstrated an increase in the abundance of –OH species including silanol (SiOH) groups and an evolution in the glass structure in the bubble regions compared with the bubble‐free regions. These results indicate an increase in the reactivity between water and glass fracture surfaces relative to the bulk.

Optimization of surface silanol groups in mesoporous SBA-15 and KIT-6 materials: Effects on APTES functionalization and CO2 adsorption

Hybrid mesoporous silicas are potentially reusable promising adsorbents for CO2 capture. Here SBA-15 and KIT-6 mesoporous silicas were synthetized by the sol-gel technique using a lower calcination temperature than the conventional one: 300 °C vs. 550 °C. This strategy aimed to maximize the surface hydroxyl group density and consequently, to improve functionalizing agent-loading performed by the post-synthesis grafting method. The as-obtained silica-based samples were then characterized and applied to CO2 capture. A correlation between chemical-textural properties and adsorption capacities of pure and modified materials was discussed. The calcined at 300 °C silica supports, SBA-15-300-1 and KIT-6-300-1, with high silanol group densities showed better adsorption capacities overall pressure range. It is worth highlighting that the KIT-6-300-1: APTES adsorbent had a good stability performance, showing a drop of around 8 % over the aging time of a year. While, the SBA-15-300-1: APTES solid presented an excellent recycled performance after 10 adsorption-desorption cycles, maintaining about 95 % of its initial capacity.

Retention Mechanisms of Basic Compounds in Liquid Chromatography with Sodium Dodecyl Sulfate and 1-Hexyl-3-Methylimidazolium Chloride as Mobile Phase Reagents in Two C18 Columns

Reversed-phase liquid chromatography (RPLC) relies on a non-polar stationary phase and a more polar hydro-organic mobile phase, where compound retention is primarily governed by hydrophobicity, with more hydrophobic compounds being retained longer. The introduction of secondary equilibria in the chromatographic system through additives, such as anionic surfactants and ionic liquids (ILs), was proposed to mitigate ionic interactions between positively charged analytes and the anionic free silanol groups in non-endcapped stationary phases, thereby preventing increased retention and peak tailing. Additionally, the combined hydrophobic and ionic interactions between cationic analytes and the ions in these additives was demonstrated to create mixed retention mechanisms that influence retention and selectivity. In this regard, this study investigates aqueous chromatographic systems incorporating both the anionic surfactant sodium dodecyl sulfate (SDS) and the IL 1-hexyl-3-methylimidazolium chloride as mobile phase reagents. This combination of reagents modulates the retention, eliminating the need for organic solvents and resulting in highly sustainable HPLC procedures. The chromatographic behavior was assessed using two different C18 columns (Zorbax Eclipse and XTerra-MS). The strength of solute interactions was estimated by calculating equilibrium parameters and the contributions of hydrophobic and ionic interactions through simple mathematical models. Focusing on the retention of six basic drugs (β-adrenoceptor antagonists), the study highlighted the significant role of ionic interactions. The results demonstrate the feasibility of using aqueous systems combining SDS and an IL for the efficient separation of moderately polar basic compounds without the use of organic solvents.

Effect of H<sub>3</sub>PO<sub>4</sub> and Phenol Additives on Gel Formation in Silica Fire Retardant Coatings for Building Materials

Increasing the fire resistance of wooden building structures is quite effectively ensured thanks to the development of fire-fighting compositions with aromatic components that contribute to the formation of a carbonized layer on the surface of the material during combustion. It is also known about the mutual positive influence of benzene fragments and phosphate-containing compounds on the fire-resistant characteristics of wood. The paper considers the possibility of complex use of phenol and orthophosphate acid to improve the flame retardant properties of SiO2-based coatings. The effect of modifying additives on the rheological properties of silicic acid sols was determined. Based on the results of IR spectroscopy, the influence of components on the nature of polycondensation in experimental SiO2 sols was evaluated. It is shown that the use of orthophosphate acid as a modifier leads to the initiation of predominantly linear polycondensation in experimental sols. It was established that small additions of phenol practically do not affect the course of polycondensation in experimental sols. Increasing the phenol content to 0.5% showed an effect on gel formation due to the possible addition of phenol to the skeletal silanol groups by the donor-acceptor mechanism, which makes it possible to have a synergistic effect of the complex additive of orthophosphate acid and phenol on the properties of the silica-containing flame retardant composition.

Enhanced proton transfer in proton exchange membrane fuel cells via novel nanocomposite membrane incorporating (3-Mercaptopropyl)trimethoxysilane-graphene oxide and basic amino ligands: A synergistic acid-base approach

A nanocomposite polymer electrolyte membrane (MGC) was synthesized by blending MPTS (HS(CH2)3Si(OCH3)3) and graphene oxide (GO) nanosheets at varying weight ratios (91.5 to 9.5, respectively) for proton exchange membrane fuel cell (PEMFC) applications. By covalently modifying the GO support with MPTS through a silane modification process, the acidic MGC matrix is formed. The blending process, with ultrasonication and vigorous stirring, initiates two significant reactions in reactive MPTS: first, the conversion of methoxy groups (Si–OCH3) to silanols (Si-OH); second, the potential condensation of silanol groups to form siloxane bonds (Si–O–Si), followed by oxidation of sulfhydryl groups to sulfonic acid (-SO3H) groups by hydrogen peroxide. The resulting -SO3H groups connected to the siloxane network (Si-O-Si) adjacent to the GO. Two basic amino ligands – dopamine, and aminopropyl trimethoxysilane (APTES) were incorporated into the MGC matrix to establish acid-base pairs, promoting swift proton transport. These additions, at weight ratios of (0.5, 1, 2, and 7) wt%, synergistically contributed to the MGC matrix, forming effective proton channels. Various analytical techniques, including field emission-scanning electron microscopy (FE-SEM), atomic force microscopy (AFM), Raman spectroscopy, X-ray diffraction (XRD), and electrochemical impedance spectroscopy (EIS), were employed to assess the impact of functionalized basic amino groups on the MGC matrix. Notably, the MGC membrane containing 2 wt% of PDA as basic amino ligands exhibited optimal performance, showcasing an in-plane proton conductivity of 115.10 mS cm-1 under fully hydrated conditions at 90 °C, and the maximum power density (MPD) of 170.74 mW cm-2 with a current density of 1051.46 mA cm-2 at 60 °C and 100 % relative humidity (RH). In contrast, the MGC membrane, devoid of amino ligands, exhibited a comparatively low in-plane conductivity of 44.32 mS cm⁻¹ under identical conditions at 90 °C. Additionally, it recorded the MPD of 48.5 mW cm⁻², corresponding to a current density of 313.25 mA cm⁻² at 60 °C and 100 % RH. This study introduces an innovative approach for developing high-performance nanocomposite membranes for PEMs and related applications.

New hybrid adsorbent based on APTES functionalized zeolite W for lead and cadmium ions removal: Experimental and theoretical studies

Water pollution remains a primary worldwide concern, requiring various treatment technologies for efficient and effective remediation. In recent years, zeolites have gained extensive attention as promising materials and approaches for removing heavy metals from wastewater. This study presents a new hybrid adsorbent based on zeolite W (ZW) chemically modified with aminopropyltriethoxysilane (APTES), demonstrating excellent Pb(II) and Cd(II) removal efficiency, was developed. The prepared zeolites were characterized using several advanced techniques. XPS, NMR, FTIR spectroscopy, elemental analysis and TGA confirmed the successful functionalization via covalent bonds between the zeolite W inorganic surface and the available APTES silanol groups. The adsorption behavior of both metal ions onto the prepared zeolites was well-fitted by the Redlich-Peterson and Langmuir isotherms, and the Pseudo-second order model. Results showed that ZW@APTES provides a larger adsorption capacity than ZW under all studied experimental conditions. The maximum adsorption capacity of ZW@APTES for Pb(II) and Cd(II) reached 421.7 and 253.5 mg/g, respectively. Moreover, batch experiments indicated that ion exchange and surface complexation with weak chemical bonds were the main adsorption mechanisms for Pb(II) and Cd(II). This study demonstrates that APTES-modified zeolite W could be a valuable and promising material for removing heavy metal ions from contaminated water in real-world applications.

Factors controlling the organ-specific T1 contrast effect of silica nanoparticles co-doped with both Mn2+ ions and oleate-coated iron oxides

The present work introduces the synergistic effect of co-doping of both oleate-coated superparamagnetic iron oxide nanoparticles (SPIONs) and Mn(NO3)2 into silica nanoparticles (SNs) on the T1-relaxivity of Mn2+ ions. The observed synergism can be attributed to the limited oxidation of Mn2+ ions when they are doped into the outer layer of SNs doped with SPIONs, despite the alkaline synthesis conditions. The electrochemical behaviour of the manganese ions inside co-doped SNs corroborates the predominance of their oxidation state +2. Moreover, the T1 relaxivities of co-doped SNs have been determined to be 20.0 mM−1s−1 and 30.0 mM−1s−1 at 0.47 T. The T2 relaxivity of co-doped SNs can be tuned by incorporating 6 or 13 nm SPIONs with different saturation magnetizations, which allows the T2/T1 relaxation ratios to be limited to 0.8–5.9. The incorporation of amino groups on the surface of co-doped SNs by substituting silanol groups with propylamino groups reduces T1 relaxivity to 9.0 mM−1s−1, which is nevertheless sufficient to provide a brightening of the abdominal organs and mouse brain in magnetic resonance imaging at 11.7 T. The preferential localisation of co-doped SNs in the kidneys and intestines compared to the liver is a consequence of the specificity of amino-substituted SNs compared to bare SNs.

Carbon Nitride Nanosheets as an Adhesive Layer for Stable Growth of Vertically-Ordered Mesoporous Silica Film on a Glassy Carbon Electrode and Their Application for CA15-3 Immunosensor.

Vertically ordered mesoporous silica films (VMSF) are a class of porous materials composed of ultrasmall pores and ultrathin perpendicular nanochannels, which are attractive in the areas of electroanalytical sensors and molecular separation. However, VMSF easily falls off from the carbonaceous electrodes and thereby impacts their broad applications. Herein, carbon nitride nanosheets (CNNS) were served as an adhesive layer for stable growth of VMSF on the glassy carbon electrode (GCE). CNNS bearing plentiful oxygen-containing groups can covalently bind with silanol groups of VMSF, effectively promoting the stability of VMSF on the GCE surface. Benefiting from numerous open nanopores of VMSF, modification of VMSF's external surface with carbohydrate antigen 15-3 (CA15-3)-specific antibody allows the target-controlled transport of electrochemical probes through the internal silica nanochannels, yielding sensitive quantitative detection of CA15-3 with a broad detection range of 1 mU/mL to 1000 U/mL and a low limit of detection of 0.47 mU/mL. Furthermore, the proposed VMSF/CNNS/GCE immunosensor is capable of highly selective and accurate determination of CA15-3 in spiked serum samples, which offers a simple and effective electrochemical strategy for detection of various practical biomarkers in complicated biological specimens.

Robust Solid–Solid Phase Change Coating Encapsulated Glass Fiber Fabric with Electromagnetic Interference Shielding for Thermal Management and Message Encryption

AbstractElectromagnetic interference (EMI) shielding composites with both thermal response/management functions and message transfer/encryption behavior are ideal for use in fields such as aerospace, construction engineering, and military equipment. In this work, a self‐cross‐linking supramolecular solid–solid phase change polyethylene glycol (ScPEG) coating is prepared based on multiple hydrogen bonds, which is used for encapsulating glass fiber fabric (GFF) modified with silver nanowires (AgNWs). The solid–solid phase change coating is obtained through the hydrolysis‐condensation of PEG with a reactive silanol end group. Polyethylene glycol molecular chains can store and release heat by switching between the crystalline and amorphous state. The silanol groups can form supramolecular networks through the physical cross‐linking of multiple hydrogen bonds, resulting in an excellent thermal stability. In particular, hydrogen bonds between ScPEG and AgNW‐modified GFF (A‐GFF) enhance interfacial interactions, and the resulting robust structure enables an efficient stress transfer. ScPEG‐coated A‐GFF can achieve a tensile strength of up to 191 MPa and a tunable EMI shielding effectiveness (SE) of 40 to 72 dB depending on the number of fabric layers. Moreover, the fabric exhibits a flexible thermal response characteristic, an outstanding thermal management capability, and potential message encryption behavior.

Silica Gel From Bagasse Ash for Methylene Blue Adsorption

Most silica sources are from non-renewable natural sand or rock materials, which affect the element's diminishing availability in the environment. Because bagasse ash has a relatively high silica concentration, it can be used as a silica source to manufacture silica gel. HCl is added during the sol-gel process of silica gel synthesis. The silica gel's characterization employs FTIR, XRD, and SEM instruments. Characterization results showed that silica gel contains silanol groups identified by the appearance of vibrations at the wavenumber of 3383,93 cm-1 and 1635,17 cm-1. Vibrations of the siloxane group appear at the wavenumber of 1020,83 cm-1 and 579,88 cm-1. Silica gel diffractogram showing dilated diffraction peaks at 2q = 22,90ᵒ. Silica gel has potential as an adsorbent in adsorbing methylene blue dye. The ideal parameters for the methylene blue adsorption process are pH 10 and 45 minutes of contact time., silica gel weight of 0.1 g, and methylene blue concentration of 100 mg/L. Using the Langmuir isotherm rule, the silica gel of bagasse ash has a high adsorption capacity of 56.818 mg/g.

A Descriptive Review on the Potential Use of Diatom Biosilica as a Powerful Functional Biomaterial: A Natural Drug Delivery System.

Although various chemically synthesized materials are essential in medicine, food, and agriculture, they can exert unexpected side effects on the environment and human health by releasing certain toxic chemicals. Therefore, eco-friendly and biocompatible biomaterials based on natural resources are being actively explored. Recently, biosilica derived from diatoms has attracted attention in various biomedical fields, including drug delivery systems (DDS), due to its uniform porous nano-pattern, hierarchical structure, and abundant silanol functional groups. Importantly, the structural characteristics of diatom biosilica improve the solubility of poorly soluble substances and enable sustained release of loaded drugs. Additionally, diatom biosilica predominantly comprises SiO2, has high biocompatibility, and can easily hybridize with other DDS platforms, including hydrogels and cationic DDS, owing to its strong negative charge and abundant silanol groups. This review explores the potential applications of various diatom biosilica-based DDS in various biomedical fields, with a particular focus on hybrid DDS utilizing them.

Sn-MFI zeolite nanosponge having high content of Lewis acid sites on external surfaces, exhibiting high activity in Baeyer-Villiger oxidation of bulky ketone

We developed a three-step synthesis strategy to obtain Sn-incorporated MFI-type zeolite nanosponge (Sn-MFI-ns) assembled by ultrathin (∼2.5 nm) zeolite frameworks possessing uniform-sized (∼4 nm) mesopores: 1) synthesis of MFI-type borosilicate nanosponge using a zeolite structure-directing-surfactant, 2) deboronation of the borosilicate using HNO3, and 3) gas-phase incorporation of Sn into the boron-vacant sites via silanol groups using (CH3)2SnCl2 as a precursor. The Sn-MFI-ns shows high crystallinity, consequently high thermal stability, and highly porous structure. The Sn content can be systematically controlled by the amount of the precursor, with Si/Sn ratios ranging from 30 to 200. The Sn species is highly dispersed over entire range of the zeolite surfaces, acting as Lewis acid sites. Due to the highly mesoporous structure, the Sn-MFI-ns has a significant number of Lewis acid sites on the external surfaces and mesopore walls, which are easily accessible to bulky molecules, compared to solely microporous zeolite (Sn-bulk-MFI). Consequently, the Sn-MFI-ns exhibits much higher catalytic activity than the Sn-bulk-MFI with high product selectivity in Baeyer-Villiger oxidation of 2-adamantanone, a molecule larger than the micropore apertures of MFI-type zeolite. The activity of Sn-MFI-ns is comparable to Sn-MCM-41 exposing almost all Sn to mesopore walls, advantageous to the bulky molecules’ reaction.

A stationary phase of tetraethylene glycol-modified silica for separation of phenolic acids

AbstractSilica, as a stationary phase, has low separation efficiency accompanied by overlapping, broadened, and tailed peaks, so it needs to be modified to improve its efficiency. This study aims to develop a silica-based stationary phase modified by tetraethylene glycol (TEG) to separate phenolic compounds. Silica was modified by a chemical bond between silanol groups on the silica surface and TEG through a 3-glycidyloxypropylmethoxysilane reaction. The modified silica was packed into a capillary column and used to separate simple phenolic compounds consisting of phenol, pyrocatechol, and pyrogallol. A sample of 0.2 µL was injected into the capillary liquid chromatography and the mobile phase employed was acetonitrile 98% with a flow rate of 3 μL min−1. Elution was also done isocratically in this process and detection was carried out at a wavelength of 254 nm. The mixture of simple phenolic compounds was successfully separated in less than 7 min. The asymmetry factor and resolution were 1.43–2.12 and 1.72–5.43 respectively. The number of the theoretical plates ranged from 213 to 7,857. Columns containing Si-TEG stationary phase also separate phenolic compounds, which consist of gallic acid, syringic acid, ferulic acid, and caffeic acid. A sample of 0.2 µL was injected into the capillary liquid chromatography and successfully separated the mixture in less than 12 min. The samples were eluted isocratically using a mixture of methanol and 50 mM phosphate buffer pH 2.5 (8:92) with a flow rate of 3 μL min−1. The phenolic acids compounds were detected at a wavelength of 280 nm. The chromatogram showed four separate peaks. The asymmetry factor and resolution were 1.53–1.63 and 1.14–1.74, respectively, but the number of the theoretical plates was low, ranging from 190 to 796.

Impact of aminopropyl units on physisorption in mesostructured silica is larger for CH4 than CO2 and depends on pore curvature

Mesoporous silica-based materials attract great interest for diverse applications, including capture, storage, and catalysis due to their large surface area, uniform pore size distribution, and customizable surface. The regular 2D hexagonal pore symmetry of MCM-41 makes it an ideal model. Amine groups are introduced to enhance CO2 adsorption, but the interplay of factors influencing overall performance, including pore size, remains unclear. This computational study explores the physisorption of CO2 and CH4, shedding light on the microscopic details underlying adsorption capacity and selectivity. Three aminopropyl-functionalized MCM-41 models with different pore size are compared through Grand Canonical Monte Carlo and Molecular Dynamics simulations. Aminopropyl chains affect CO2 adsorption, but its affinity for the preserved silanol groups is larger. In addition, the competitive interaction between amine and silanol groups emerged, and it is pore curvature dependent. Surprisingly, CH4 physisorption is influenced even more by surface functionalization. Results show a non-monotonic trend as a function of pore size. Local density of the alkyl chains plays the major role. Overall, the intermediate pore size demonstrates the best performance, thanks to the balance among the various effects. The study emphasizes the importance of understanding the interplay between material texture and gas interactions to optimize adsorption performance.