Sulfonamide Antibiotics Embedded in High Silica Zeolite Y: A Combined Experimental and Theoretical Study of Host−Guest and Guest−Guest Interactions

Langmuir ◽  
2010 ◽  
Vol 26 (12) ◽  
pp. 9524-9532 ◽  
Author(s):  
Ilaria Braschi ◽  
Giorgio Gatti ◽  
Geo Paul ◽  
Carlo E. Gessa ◽  
Maurizio Cossi ◽  
...  
Keyword(s):  
Theoretical Study ◽  
Zeolite Y ◽  
Sulfonamide Antibiotics ◽  
High Silica

scholarly journals Physicochemical regeneration of high silica zeolite Y used to clean-up water polluted with sulfonamide antibiotics

2016 ◽  
Vol 43 ◽  
pp. 302-312 ◽  
Author(s):  
I. Braschi ◽  
S. Blasioli ◽  
E. Buscaroli ◽  
D. Montecchio ◽  
A. Martucci
Keyword(s):  
Zeolite Y ◽  
Sulfonamide Antibiotics ◽  
High Silica

scholarly journals Embedding monomers and dimers of sulfonamide antibiotics into high silica zeolite Y: an experimental and computational study of the tautomeric forms involved

RSC Advances ◽  
2013 ◽  
Vol 3 (20) ◽  
pp. 7427 ◽  
Author(s):  
Ilaria Braschi ◽  
Geo Paul ◽  
Giorgio Gatti ◽  
Maurizio Cossi ◽  
Leonardo Marchese
Keyword(s):  
Zeolite Y ◽  
Computational Study ◽  
Sulfonamide Antibiotics ◽  
Tautomeric Forms ◽  
High Silica

SDA-Free Hydrothermal Synthesis of High-Silica Ultra-nanosized Zeolite Y

2017 ◽  
Vol 17 (3) ◽  
pp. 1173-1179 ◽  
Author(s):  
Maeva Borel ◽  
Mathias Dodin ◽  
T. Jean Daou ◽  
Nicolas Bats ◽  
Bogdan Harbuzaru ◽  
...  
Keyword(s):  
Hydrothermal Synthesis ◽  
Zeolite Y ◽  
High Silica ◽  
Nanosized Zeolite

scholarly journals Adsorption of Lower Alcohols from Water Solutions on High Silica Zeolites, Mesoporous MCM-41 and AlPO4-5

1997 ◽  
Vol 15 (4) ◽  
pp. 289-299 ◽  
Author(s):  
Ivar M. Dahl ◽  
Elisabeth Myhrvold ◽  
Åse Slagtern ◽  
Michael Stöcker
Keyword(s):  
Zeolite Y ◽  
Micropore Volume ◽  
Water Solutions ◽  
Alkyl Chains ◽  
Β Zeolite ◽  
High Silica ◽  
High Silica Zeolites ◽  
Hydrophobic Adsorbents ◽  
Enhanced Adsorption ◽  
Mcm 41

Two dealuminated β-zeolites, zeolite Y and MCM-22 as well as silicalite, MCM-41 and AlPO4-5 have been studied as hydrophobic adsorbents in water solutions. Dealuminated β-zeolite, MCM-22 and silicalite all adsorb alcohols from water solutions. Enhanced adsorption is obtained for alcohols with longer alkyl chains. Adsorption in the practically most interesting 10–80% range of zeolite filling may adequately be described by Langmuir isotherms. The Langmuir adsorption constants are similar for β-zeolite, MCM-22 and silicalite. This indicates that the adsorption is independent of the pore structure for the alcohols tested in this study. The surface silanol density is however important, such that a low SiOH density is required to give lipophilic properties. In line with this, dealuminated zeolite Y, as prepared here, and MCM-41 give only a poor preference for alcohols from water. For the β-zeolite, the dealumination procedure is important for retaining the micropore volume and adsorption capacity of the zeolite. AlPO4-5 shows no potential as an adsorbent for alcohols from water solutions.

Influencing factors on rapid crystallization of high silica nano-sized zeolite Y without organic template under atmospheric pressure

2008 ◽  
Vol 16 (3) ◽  
pp. 299-306 ◽  
Author(s):  
Young Chang Kim ◽  
Ji Yeon Jeong ◽  
Ji Yeong Hwang ◽  
Shin Dong Kim ◽  
Wha Jung Kim
Keyword(s):  
Influencing Factors ◽  
Atmospheric Pressure ◽  
Zeolite Y ◽  
Organic Template ◽  
Rapid Crystallization ◽  
High Silica

Localization of Cu+sites and framework Al positions in high-silica zeolites: Combined experimental and theoretical study

2004 ◽  
Vol 6 (9) ◽  
pp. 2003-2007 ◽  
Author(s):  
Roman Bulánek ◽  
Pavel Čičmanec ◽  
Petr Knotek ◽  
Dana Nachtigallová ◽  
Petr Nachtigall
Keyword(s):  
Theoretical Study ◽  
High Silica ◽  
High Silica Zeolites

Adsorptive removal of sulfonamide antibiotics in livestock urine using the high-silica zeolite HSZ-385

2013 ◽  
Vol 67 (2) ◽  
pp. 319-325 ◽  
Author(s):  
S. Fukahori ◽  
T. Fujiwara ◽  
N. Funamizu ◽  
K. Matsukawa ◽  
R. Ito
Keyword(s):  
Ion Concentration ◽  
Ammonium Ion ◽  
Distilled Water ◽  
Adsorption Efficiency ◽  
Sulfonamide Antibiotics ◽  
Adsorptive Removal ◽  
Synthetic Urine ◽  
Organic Carbon Concentration ◽  
Alkaline Conditions ◽  
High Silica

The adsorptive removal of seven sulfonamide antibiotics using the high-silica zeolite HSZ-385 from distilled water, synthetic urine and real porcine urine was investigated. The pH greatly affected the adsorption efficiency, and the amounts of all sulfonamide antibiotics adsorbed on HSZ-385 decreased at alkaline conditions compared with that at neutral conditions. During storage, the pH and ammonium-ion concentration increased with urea hydrolysis for porcine urine. We clarified that the adsorption efficiency of sulfonamides in synthetic urine was equivalent to that in distilled water, suggesting that adsorption behavior was not affected by coexistent ions. HSZ-385 could adsorb sulfonamide antibiotics in real porcine urine even though the non-purgeable organic carbon concentration of porcine urine was 4–7 g/L and was two orders of magnitude higher than those of sulfonamides (10 mg/L each). Moreover, the adsorption of sulfonamides reached equilibrium within 15 min, suggesting that HSZ-385 is a promising adsorbent for removing sulfonamides from porcine urine.

Hydrothermal synthesis of high silica zeolite Y using tetraethylammonium hydroxide as a structure-directing agent

2016 ◽  
Vol 52 (86) ◽  
pp. 12765-12768 ◽  
Author(s):  
Dawei He ◽  
Danhua Yuan ◽  
Zhijia Song ◽  
Yansi Tong ◽  
Yaqi Wu ◽  
...  
Keyword(s):  
Thermal Stability ◽  
Hydrothermal Synthesis ◽  
Zeolite Y ◽  
Hydrothermal Stability ◽  
Structure Directing Agent ◽  
Tetraethylammonium Hydroxide ◽  
High Silica

Zeolite Y with a SiO2/Al2O3 ratio of 7.76 and outstanding thermal stability and hydrothermal stability is synthesized using TEAOH as an SDA.

scholarly journals Simulation-Based Evaluation of Zeolite Adsorbents for the Removal of Emerging Contaminants

2020 ◽  
Author(s):  
Michael Fischer
Keyword(s):  
Emerging Contaminants ◽  
Zeolite Y ◽  
Experimental Studies ◽  
Pollutant Removal ◽  
Experimental Investigations ◽  
Good Correspondence ◽  
Emerging Organic Contaminants ◽  
High Silica ◽  
High Silica Zeolites ◽  
Energy Configurations

<p>A number of experimental studies have evaluated the potential of hydrophobic high-silica zeolites for the adsorptive removal of emerging organic contaminants, such as pharmaceuticals and personal care products, from water. Despite the widespread use of molecular modelling techniques in various other fields of zeolite science, the adsorption of pharmaceuticals and related pollutants has hardly been studied computationally. In this work, inexpensive molecular simulations using a literature force field (DREIDING) were performed to study the interaction of 21 emerging contaminants with two all-silica zeolites, mordenite (MOR topology) and zeolite Y (FAU topology). The selection of adsorbents and adsorbates was based on a previous experimental investigation of organic contaminant removal using high-silica zeolites (Rossner et al., <i>Water Res.</i> <b>2009</b>, <i>43</i>, 3787–3796). An analysis of the lowest-energy configurations revealed a good correspondence between calculated interaction energies and experimentally measured removal efficiencies (strong interaction – high removal), despite a number of inherent simplifications. This indicates that such simulations could be used as a screening tool to identify promising zeolites for adsorption-based pollutant removal prior to experimental investigations. To illustrate the predictive capabilities of the method, additional calculations were performed for acetaminophen adsorption in 11 other zeolite frameworks, as neither mordenite nor zeolite Y remove this pharmaceutical efficiently. Furthermore, the lowest-energy configurations were analysed for selected adsorbent-adsorbate combinations in order to explain the observed differences in affinity.</p>

scholarly journals Simulation-Based Evaluation of Zeolite Adsorbents for the Removal of Emerging Contaminants

2020 ◽  
Author(s):  
Michael Fischer
Keyword(s):  
Emerging Contaminants ◽  
Zeolite Y ◽  
Experimental Studies ◽  
Pollutant Removal ◽  
Experimental Investigations ◽  
Good Correspondence ◽  
Emerging Organic Contaminants ◽  
High Silica ◽  
High Silica Zeolites ◽  
Energy Configurations

<p>A number of experimental studies have evaluated the potential of hydrophobic high-silica zeolites for the adsorptive removal of emerging organic contaminants, such as pharmaceuticals and personal care products, from water. Despite the widespread use of molecular modelling techniques in various other fields of zeolite science, the adsorption of pharmaceuticals and related pollutants has hardly been studied computationally. In this work, inexpensive molecular simulations using a literature force field (DREIDING) were performed to study the interaction of 21 emerging contaminants with two all-silica zeolites, mordenite (MOR topology) and zeolite Y (FAU topology). The selection of adsorbents and adsorbates was based on a previous experimental investigation of organic contaminant removal using high-silica zeolites (Rossner et al., <i>Water Res.</i> <b>2009</b>, <i>43</i>, 3787–3796). An analysis of the lowest-energy configurations revealed a good correspondence between calculated interaction energies and experimentally measured removal efficiencies (strong interaction – high removal), despite a number of inherent simplifications. This indicates that such simulations could be used as a screening tool to identify promising zeolites for adsorption-based pollutant removal prior to experimental investigations. To illustrate the predictive capabilities of the method, additional calculations were performed for acetaminophen adsorption in 11 other zeolite frameworks, as neither mordenite nor zeolite Y remove this pharmaceutical efficiently. Furthermore, the lowest-energy configurations were analysed for selected adsorbent-adsorbate combinations in order to explain the observed differences in affinity.</p>

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