Effects of nanoconfinement and surface charge on iron adsorption on mesoporous silica

Author(s):  
Jeffery A. Greathouse ◽  
Tyler J. Duncan ◽  
Anastasia G. Ilgen ◽  
Jacob A. Harvey ◽  
Louise J. Criscenti ◽  
...  

A combination of molecular simulation and X-ray adsorption spectroscopy reveal the effects of pore size and nanoconfinement on the adsorption and surface complexation of aqueous iron at amorphous silica surfaces.

Author(s):  
Thomas Coquil ◽  
Laurent Pilon

This study reports non-equilibrium molecular dynamics (MD) simulations predicting the thermal conductivity of amorphous mesoporous silica. The heat flux was imposed using the Muller-Plathe method and interatomic interactions were modeled using the van Beest, Kramer and van Santen (BKS) potential. First, simulations were validated against results reported in the literature for dense quartz and amorphous silica. The BKS potential was found to significantly overestimate the thermal conductivity of dense amorphous silica and results depended on the length of the simulation cell. Then, highly ordered pores were introduced in an amorphous silica matrix by removing atoms within selected areas of the simulation cell. Effects of the simulation cell length, pore size, and porosity on the thermal conductivity were investigated at room temperature. Results were compared with predictions from commonly used effective medium approximations as well as with previously reported experimental data for films with porosity and pore diameter ranging from 20% to 48% and 30 to 180 Å, respectively. Predictions of MD simulations overestimated the experimental data and agreed with predictions from the coherent potential model. However, MD simulations confirmed that thermal conductivity in sol-gel amorphous mesoporous materials was independent of pore size and depended only on porosity.


2013 ◽  
Vol 789 ◽  
pp. 124-131 ◽  
Author(s):  
Andriayani Andriayani ◽  
Seri Bima Sembiring ◽  
Nida Aksara ◽  
Nofrijon Sofyan

Synthesis of mesoporous silica from tetraethylorthosilicate (TEOS) by using sodium ricinoleic as a template and 3-aminopropyltrimethoxysilane (APMS) as a co-structure directing agents (CDSA) in a volume variation of acid addition has been carried out. Preparation of mesoporous silica was conducted in HCl 0.1 M at volume variations of 2 ml, 35 ml, 40 ml and 50 ml. In acid conditions, the amine groups of APMS will protonate, which will then interact electrostatically with the carboxylate groups from ricinoleic acid, while the methoxy groups from APMS will condense with the silanol groups from TEOS to form an end product of mesoporous silica. The reaction products were characterized by using X-ray diffractometer (XRD), Fourier transform infra-red spectrometer (FTIR), surface area analyzer (BET), scanning electron microscope (SEM), and transmission electron microscope (TEM). X-ray diffractograms of the products from all of the acid volume variation additions show broadening peaks indicating amorphous materials as a characteristic of mesoporous materials. Infrared spectra show that all of the products have Si-OH and Si-O-Si groups that are characteristics for mesoporous silica. Imaging results from SEM and TEM show morphology and particle size differences in accordance with the differences in volume variation of acid addition. Adsorption/desorption isotherm by using nitrogen at 77 K of the products from the addition of 2 ml of HCl show an isotherm Type II (adsorption on the surface layer) with irregular pore size distribution, whereas from the addition of 30 ml, 35 ml, 40 ml and 50 ml HCl show an isotherm Type IV with a hysteresis loop that is characteristic for mesoporous materials with a regular pore size distribution.


2019 ◽  
Author(s):  
KAIKAI MA ◽  
Peng Li ◽  
John Xin ◽  
Yongwei Chen ◽  
Zhijie Chen ◽  
...  

Creating crystalline porous materials with large pores is typically challenging due to undesired interpen-etration, staggered stacking, or weakened framework stability. Here, we report a pore size expansion strategy by self-recognizing π-π stacking interactions in a series of two-dimensional (2D) hydrogen–bonded organic frameworks (HOFs), HOF-10x (x=0,1,2), self-assembled from pyrene-based tectons with systematic elongation of π-conjugated molecular arms. This strategy successfully avoids interpene-tration or staggered stacking and expands the pore size of HOF materials to access mesoporous HOF-102, which features a surface area of ~ 2,500 m2/g and the largest pore volume (1.3 cm3/g) to date among all reported HOFs. More importantly, HOF-102 shows significantly enhanced thermal and chemical stability as evidenced by powder x-ray diffraction and N2 isotherms after treatments in chal-lenging conditions. Such stability enables the adsorption of dyes and cytochrome c from aqueous media by HOF-102 and affords a processible HOF-102/fiber composite for the efficient photochemical detox-ification of a mustard gas simulant.


Author(s):  
Steven A. Yamada ◽  
Samantha T. Hung ◽  
Jae Yoon Shin ◽  
Michael D. Fayer

RSC Advances ◽  
2021 ◽  
Vol 11 (17) ◽  
pp. 10010-10017
Author(s):  
Ping-Chung Kuo ◽  
Zhi-Xun Lin ◽  
Tzi-Yi Wu ◽  
Chun-Han Hsu ◽  
Hong-Ping Lin ◽  
...  

Mesoporous silica films were used as supports with high loading capacity and enzyme activity.


Polymers ◽  
2020 ◽  
Vol 13 (1) ◽  
pp. 53
Author(s):  
Adrian Szewczyk ◽  
Adrianna Skwira ◽  
Marta Ginter ◽  
Donata Tajer ◽  
Magdalena Prokopowicz

Herein, the microwave-assisted wet precipitation method was used to obtain materials consisting of mesoporous silica (SBA-15) and calcium orthophosphates (CaP). Composites were prepared through immersion of mesoporous silica in different calcification coating solutions and then exposed to microwave radiation. The composites were characterized in terms of molecular structure, crystallinity, morphology, chemical composition, and mineralization potential by Fourier-transform infrared spectroscopy (FTIR), powder X-ray diffraction (XRD), and scanning electron microscopy equipped with energy-dispersive X-ray spectroscopy (SEM-EDX). The application of microwave irradiation resulted in the formation of different types of calcium orthophosphates such as calcium deficient hydroxyapatite (CDHA), octacalcium phosphate (OCP), and amorphous calcium phosphate (ACP) on the SBA-15 surface, depending on the type of coating solution. The composites for which the progressive formation of hydroxyapatite during incubation in simulated body fluid was observed were further used in the production of final pharmaceutical forms: membranes, granules, and pellets. All of the obtained pharmaceutical forms preserved mineralization properties.


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