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Dr. Susana Valencia
Instituto de Tecnología Química (Universitat Politècnica de València-CSIC), Valencia, Spain

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0 Adsorption
0 Characterization
0 Diffusion
0 Gas Separation
0 Synthesis

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Journal article
Published: 26 July 2021 in Applied Sciences
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The nature of organic structure directing agents (OSDAs) is of paramount importance in the final properties of zeolites, particularly the framework and porosity. Recently, the use of P-containing OSDAs has been employed for new zeolites, but there is little discussion compared to their analogues N-OSDAs. The main objective of this work is the characterization of pure silica MFI zeolite (silicalite-1) prepared by the dual-template route with tetrapropylammonium (TPA), tetrapropylphosphonium (TPP) cations, and mixtures thereof aiming to understand by advanced NMR methods how the nature of the organic influences the physico-chemical properties of the zeolite. Silicalite-1 has been successfully synthesized using the dual-template procedure with TPA and TPP molecules. Both OSDAs are incorporated into the zeolite without any specific preference, differently to that observed before for the TEA/TEP system, and homogenously mixed inside of the zeolite voids. The presence of TPP leads to the incorporation of less F, raising the concentration of Q3-defective sites in the silicalite-1 zeolites. Detailed NMR results indicate that those structural defects are close to the –CH3 group of the entrapped OSDAs in the zeolite and these defects consist of at least two silanol groups stabilizing the Si-O- species, which is responsible for the charge balancing.

ACS Style

Joaquin Martinez-Ortigosa; Jorge Simancas; Jose Vidal-Moya; Fernando Rey; Susana Valencia; Teresa Blasco. A Multi-Nuclear MAS-NMR Study on the Structural Properties of Silicalite-1 Zeolite Synthesized Using N- and P-Based Organic Structure Directing Agents. Applied Sciences 2021, 11, 6850 .

AMA Style

Joaquin Martinez-Ortigosa, Jorge Simancas, Jose Vidal-Moya, Fernando Rey, Susana Valencia, Teresa Blasco. A Multi-Nuclear MAS-NMR Study on the Structural Properties of Silicalite-1 Zeolite Synthesized Using N- and P-Based Organic Structure Directing Agents. Applied Sciences. 2021; 11 (15):6850.

Chicago/Turabian Style

Joaquin Martinez-Ortigosa; Jorge Simancas; Jose Vidal-Moya; Fernando Rey; Susana Valencia; Teresa Blasco. 2021. "A Multi-Nuclear MAS-NMR Study on the Structural Properties of Silicalite-1 Zeolite Synthesized Using N- and P-Based Organic Structure Directing Agents." Applied Sciences 11, no. 15: 6850.

Communication
Published: 23 February 2021 in Angewandte Chemie
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In this work, a new zeolite named as ITQ‐69, has been synthesized, characterized and its application as selective adsorbent for industrially relevant light olefins/paraffins separations has been assessed. This material has been obtained as pure germania as well as silica‐germania zeolites with different Si/Ge ratios using a diquaternary ammonium cation as organic structure directing agent. Its structure was determined by single‐crystal X‐Ray diffraction showing a triclinic unit cell forming a tridirectional small pore channel system (8 × 8 × 8R). Also, it has been found that Si preferentially occupies some special T sites of the structure as deduced from Rietveld analysis of the powder X‐ray diffraction patterns. In addition, the new zeolite ITQ‐69 has been found to be stable upon calcination and thus, its adsorption properties were evaluated, showing a promising kinetic selectivity for light olefin separations in the C3 fraction.

ACS Style

Andrés Sala; Eduardo Pérez‐Botella; Jose L. Jordá; Angel Cantín; Fernando Rey; Susana Valencia. ITQ‐69: A Germanium‐Containing Zeolite and its Synthesis, Structure Determination, and Adsorption Properties. Angewandte Chemie 2021, 133, 11851 -11856.

AMA Style

Andrés Sala, Eduardo Pérez‐Botella, Jose L. Jordá, Angel Cantín, Fernando Rey, Susana Valencia. ITQ‐69: A Germanium‐Containing Zeolite and its Synthesis, Structure Determination, and Adsorption Properties. Angewandte Chemie. 2021; 133 (21):11851-11856.

Chicago/Turabian Style

Andrés Sala; Eduardo Pérez‐Botella; Jose L. Jordá; Angel Cantín; Fernando Rey; Susana Valencia. 2021. "ITQ‐69: A Germanium‐Containing Zeolite and its Synthesis, Structure Determination, and Adsorption Properties." Angewandte Chemie 133, no. 21: 11851-11856.

Communication
Published: 23 February 2021 in Angewandte Chemie International Edition
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In this work, a new zeolite named as ITQ‐69, has been synthesized, characterized and its application as selective adsorbent for industrially relevant light olefins/paraffins separations has been assessed. This material has been obtained as pure germania as well as silica‐germania zeolites with different Si/Ge ratios using a diquaternary ammonium cation as organic structure directing agent. Its structure was determined by single‐crystal X‐Ray diffraction showing a triclinic unit cell forming a tridirectional small pore channel system (8 × 8 × 8R). Also, it has been found that Si preferentially occupies some special T sites of the structure as deduced from Rietveld analysis of the powder X‐ray diffraction patterns. In addition, the new zeolite ITQ‐69 has been found to be stable upon calcination and thus, its adsorption properties were evaluated, showing a promising kinetic selectivity for light olefin separations in the C3 fraction.

ACS Style

Andrés Sala; Eduardo Pérez‐Botella; Jose L. Jordá; Angel Cantín; Fernando Rey; Susana Valencia. ITQ‐69: A Germanium‐Containing Zeolite and its Synthesis, Structure Determination, and Adsorption Properties. Angewandte Chemie International Edition 2021, 60, 11745 -11750.

AMA Style

Andrés Sala, Eduardo Pérez‐Botella, Jose L. Jordá, Angel Cantín, Fernando Rey, Susana Valencia. ITQ‐69: A Germanium‐Containing Zeolite and its Synthesis, Structure Determination, and Adsorption Properties. Angewandte Chemie International Edition. 2021; 60 (21):11745-11750.

Chicago/Turabian Style

Andrés Sala; Eduardo Pérez‐Botella; Jose L. Jordá; Angel Cantín; Fernando Rey; Susana Valencia. 2021. "ITQ‐69: A Germanium‐Containing Zeolite and its Synthesis, Structure Determination, and Adsorption Properties." Angewandte Chemie International Edition 60, no. 21: 11745-11750.

Editorial
Published: 31 January 2021 in Molecules
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Research in the field of zeolites is a very active and relevant area, since these materials are still widely used as catalysts and adsorbents in many industrial applications, despite the appearance of other fascinating microporous materials with excellent properties

ACS Style

Susana Valencia. Zeolitic Microporous Materials and Their Applications. Molecules 2021, 26, 730 .

AMA Style

Susana Valencia. Zeolitic Microporous Materials and Their Applications. Molecules. 2021; 26 (3):730.

Chicago/Turabian Style

Susana Valencia. 2021. "Zeolitic Microporous Materials and Their Applications." Molecules 26, no. 3: 730.

Paper
Published: 04 January 2021 in Physical Chemistry Chemical Physics
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In this article the results of statistical MC modelling corroborated by the FT-IR spectroscopy and gravimetric adsorption studies of low aliphatic hydrocarbons in ZSM-5 (Si/Al = 28 or silicalite) are presented. The extension of the Dubbeldam's forcefield for inclusion of the finite Al-containing zeolites is proposed.

ACS Style

Maciej Strzempek; Karolina A. Tarach; Kinga Góra-Marek; Fernando Rey; Miguel Palomino; Susana Valencia; Witold Piskorz. Multiscale exploration of hydrocarbon adsorption and hopping through ZSM-5 channels – from Monte Carlo modelling to experiment. Physical Chemistry Chemical Physics 2021, 23, 2981 -2990.

AMA Style

Maciej Strzempek, Karolina A. Tarach, Kinga Góra-Marek, Fernando Rey, Miguel Palomino, Susana Valencia, Witold Piskorz. Multiscale exploration of hydrocarbon adsorption and hopping through ZSM-5 channels – from Monte Carlo modelling to experiment. Physical Chemistry Chemical Physics. 2021; 23 (4):2981-2990.

Chicago/Turabian Style

Maciej Strzempek; Karolina A. Tarach; Kinga Góra-Marek; Fernando Rey; Miguel Palomino; Susana Valencia; Witold Piskorz. 2021. "Multiscale exploration of hydrocarbon adsorption and hopping through ZSM-5 channels – from Monte Carlo modelling to experiment." Physical Chemistry Chemical Physics 23, no. 4: 2981-2990.

Journal article
Published: 10 September 2020 in Molecules
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The preparation of continuous layers of highly hydrophobic pure silica ITQ-29 zeolite, potentially applicable as hydrophobic membranes for separation of molecules based on their polarity, has been investigated. Continuous layers of intergrown ITQ-29 zeolite crystals were successfully grown on porous alumina supports by optimization of the synthesis conditions, such as the appropriate selection of the seeds, the procedure for the gel preparation, and the calcination conditions. This resulted in the formation of all silica ITQ-29 zeolite layers without the presence of germanium required in previously reported ITQ-29 membranes, with the subsequent improvement in quality and stability, as verified by the absence of cracks after calcination. We have proved that the incorporation of aluminum from the support into the zeolite layer does not occur, neither during the secondary growth nor through migration of aluminum species during calcination.

ACS Style

Miguel Palomino; Hideki Ono; Susana Valencia; Avelino Corma. Preparation of Continuous Highly Hydrophobic Pure Silica ITQ-29 Zeolite Layers on Alumina Supports. Molecules 2020, 25, 4150 .

AMA Style

Miguel Palomino, Hideki Ono, Susana Valencia, Avelino Corma. Preparation of Continuous Highly Hydrophobic Pure Silica ITQ-29 Zeolite Layers on Alumina Supports. Molecules. 2020; 25 (18):4150.

Chicago/Turabian Style

Miguel Palomino; Hideki Ono; Susana Valencia; Avelino Corma. 2020. "Preparation of Continuous Highly Hydrophobic Pure Silica ITQ-29 Zeolite Layers on Alumina Supports." Molecules 25, no. 18: 4150.

Abstract
Published: 01 January 2019 in Proceedings
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Zeolites, crystalline and microporous aluminosilicates, are one of the most important groups of functional materials.

ACS Style

Mónica Jiménez-Ruiz; Tetiana Lemishko; Susana Valencia; German Sastre; Fernando Rey; Jiménez- Ruiz; Rey. Inelastic Neutron Scattering Study of Brønsted Acidity and Water Confinement in Zeolites. Proceedings 2019, 26, 47 .

AMA Style

Mónica Jiménez-Ruiz, Tetiana Lemishko, Susana Valencia, German Sastre, Fernando Rey, Jiménez- Ruiz, Rey. Inelastic Neutron Scattering Study of Brønsted Acidity and Water Confinement in Zeolites. Proceedings. 2019; 26 (1):47.

Chicago/Turabian Style

Mónica Jiménez-Ruiz; Tetiana Lemishko; Susana Valencia; German Sastre; Fernando Rey; Jiménez- Ruiz; Rey. 2019. "Inelastic Neutron Scattering Study of Brønsted Acidity and Water Confinement in Zeolites." Proceedings 26, no. 1: 47.

Research article
Published: 08 October 2018 in Langmuir
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In this paper we present a comparative study of the adsorption behavior of short chain alcohols (pure and in aqueous solution) into silicalite-1 (MFI-type zeolite) and silicalite-2 (MEL-type zeolite). For quite some time, silicalite-1 has been the reference material to address the problem of adsorptive-based separation, mostly for hydrocarbon mixtures. Interestingly, being structurally close to silicalite-1, adsorption studies using silica\-lite-2 are scarce, and to the best of our knowledge, a comparative study of their behavior for alcohol water mixtures has not been published to date. We have here resorted to molecular simulation techniques to analyze the adsorption and diffusion phenomena in both zeolites at 25 C and 50 C for pure methanol, ethanol, 1-butanol and water, and for some relevant compositions of alcohol/water mixtures. In addition to the dilute regime in the mixture, our study ranges from intermediate alcohol concentrations to alcohol-rich phases, relevant to alcohol purification processes. Besides, we have performed volumetric and calorimetric measurements of single-component adsorption of alcohols in pure silica MEL zeolite, which were used to validate the model potentials used in the simulations. We observe that the zigzag channels of MFI zeolite are most likely responsible for its somewhat higher affinity for alcohols. This leads to higher adsorption selectivities when compared to MEL zeolite. We have also found that the choice of water model strongly conditions water co-adsorption into the zeolites, and subsequently the predictions of the adsorbent’s selectivity in alcohol/water systems. Despite considerable differences for adsorbed pure components, diffusivities of alcohol and water adsorbed from mixtures are relatively similar, most likely a side effect of the strong hydrogen bonds between hydroxyl groups and water.

ACS Style

Paula Gómez-Álvarez; Eva Gonzalez Noya; Enrique Lomba; Susana Valencia; João Pires. Study of Short-Chain Alcohol and Alcohol–Water Adsorption in MEL and MFI Zeolites. Langmuir 2018, 34, 12739 -12750.

AMA Style

Paula Gómez-Álvarez, Eva Gonzalez Noya, Enrique Lomba, Susana Valencia, João Pires. Study of Short-Chain Alcohol and Alcohol–Water Adsorption in MEL and MFI Zeolites. Langmuir. 2018; 34 (43):12739-12750.

Chicago/Turabian Style

Paula Gómez-Álvarez; Eva Gonzalez Noya; Enrique Lomba; Susana Valencia; João Pires. 2018. "Study of Short-Chain Alcohol and Alcohol–Water Adsorption in MEL and MFI Zeolites." Langmuir 34, no. 43: 12739-12750.

Journal article
Published: 16 June 2018 in Membranes
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In the present work, the effect of zeolite type and topology on CO2 and N2 permeability using zeolites of different topology (CHA, RHO, and LTA) in the same Si/Al = 5, embedded in poly(trimethylsilyl-1-propyne) (PTMSP) is evaluated with temperature. Several models are compared on the prediction of CO2/N2 separation performance and then the modified Maxwell models are selected. The CO2 and N2 permeabilities through these membranes are predicted with an average absolute relative error (AARE) lower than 0.6% taking into account the temperature and zeolite loading and topology on non-idealities such as membrane rigidification, zeolite–polymer compatibility and sieve pore blockage. The evolution of this structure–performance relationship with temperature has also been predicted.

ACS Style

Clara Casado-Coterillo; Ana Fernández-Barquín; Susana Valencia; Angel Irabien. Estimating CO2/N2 Permselectivity through Si/Al = 5 Small-Pore Zeolites/PTMSP Mixed Matrix Membranes: Influence of Temperature and Topology. Membranes 2018, 8, 32 .

AMA Style

Clara Casado-Coterillo, Ana Fernández-Barquín, Susana Valencia, Angel Irabien. Estimating CO2/N2 Permselectivity through Si/Al = 5 Small-Pore Zeolites/PTMSP Mixed Matrix Membranes: Influence of Temperature and Topology. Membranes. 2018; 8 (2):32.

Chicago/Turabian Style

Clara Casado-Coterillo; Ana Fernández-Barquín; Susana Valencia; Angel Irabien. 2018. "Estimating CO2/N2 Permselectivity through Si/Al = 5 Small-Pore Zeolites/PTMSP Mixed Matrix Membranes: Influence of Temperature and Topology." Membranes 8, no. 2: 32.

Research article
Published: 04 May 2018 in The Journal of Physical Chemistry C
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Inelastic neutron scattering (INS) has been employed to determine the location of aluminum and Brønsted acid sites in a LTA-5 sample (Si/Al = 5) with few defects of connectivity. A large number of Al and Brønsted distributions were computationally generated and a selection of 9 were found to be in agreement with the 29Si NMR spectrum of the LTA sample. From the 9 subsequent Periodic Density Functional Theory (DFT) calculations, one of the models shows a good agreement with the Inelastic Neutron Scattering (INS) spectrum. The suggested distribution shows Al atoms homogeneously distributed in the framework, and with protons relatively far to each other. A CIF file containing the LTA-5 distribution of Al and H matching the experiments is given as result.

ACS Style

Tetiana Lemishko; Mónica Jiménez-Ruiz; Fernando Rey; Susana Valencia; Teresa Blasco; Alejandro Vidal-Moya; Germán Sastre. Inelastic Neutron Scattering Study of the Aluminum and Brønsted Site Location in Aluminosilicate LTA Zeolites. The Journal of Physical Chemistry C 2018, 122, 11450 -11454.

AMA Style

Tetiana Lemishko, Mónica Jiménez-Ruiz, Fernando Rey, Susana Valencia, Teresa Blasco, Alejandro Vidal-Moya, Germán Sastre. Inelastic Neutron Scattering Study of the Aluminum and Brønsted Site Location in Aluminosilicate LTA Zeolites. The Journal of Physical Chemistry C. 2018; 122 (21):11450-11454.

Chicago/Turabian Style

Tetiana Lemishko; Mónica Jiménez-Ruiz; Fernando Rey; Susana Valencia; Teresa Blasco; Alejandro Vidal-Moya; Germán Sastre. 2018. "Inelastic Neutron Scattering Study of the Aluminum and Brønsted Site Location in Aluminosilicate LTA Zeolites." The Journal of Physical Chemistry C 122, no. 21: 11450-11454.

Full paper
Published: 02 May 2018 in ChemistrySelect
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Materials based on silver are used for controlling different pathogenic microorganisms. However, the influence of the silver carrier in the biocidal activity of the material has been scarcely reported. The present research is focused on studying the influence of zeolite properties on the biocidal activity of silver‐exchanged zeolites, acting as reservoirs of silver species. The biocidal action of Ag‐Faujasite (Ag‐FAU) and Ag‐Linde Type A (Ag‐LTA) zeolites, containing different silver contents, is studied against different types of bacteria and fungi. Importantly, zeolite structure is found to be a significant parameter for controlling the antibacterial activity of Ag‐exchanged zeolites. The results show that Ag‐FAU presents a higher activity than Ag‐LTA, because the topology of FAU combined with its highest Si/Al ratio favors the formation and release of silver species with important biocidal activity. Some insights on the bactericidal mechanism of Ag‐zeolites are envisaged by means of high resolution transmission electron microscopy, showing the multi‐targeted biocidal action of Ag species released from zeolites. Besides, it is shown that Ag‐zeolites are more active against bacteria than fungi. Antifungal activity is highly dependent on the fungi species and the structure of the zeolite is not as determinant as it is for the antibacterial activity.

ACS Style

Jose Luis Cerrillo; Antonio Eduardo Palomares; Fernando Rey; Susana Valencia; María Bernardita Pérez-Gago; Diana Villamón; Lluís Palou. Functional Ag-Exchanged Zeolites as Biocide Agents. ChemistrySelect 2018, 3, 4676 -4682.

AMA Style

Jose Luis Cerrillo, Antonio Eduardo Palomares, Fernando Rey, Susana Valencia, María Bernardita Pérez-Gago, Diana Villamón, Lluís Palou. Functional Ag-Exchanged Zeolites as Biocide Agents. ChemistrySelect. 2018; 3 (17):4676-4682.

Chicago/Turabian Style

Jose Luis Cerrillo; Antonio Eduardo Palomares; Fernando Rey; Susana Valencia; María Bernardita Pérez-Gago; Diana Villamón; Lluís Palou. 2018. "Functional Ag-Exchanged Zeolites as Biocide Agents." ChemistrySelect 3, no. 17: 4676-4682.

Journals
Published: 26 January 2018 in Chemical Communications
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A new multipore zeolite of 12–8 × 8 × 8 channel system, named ITQ-62, has been synthesized and its structure solved using electron diffraction tomography.

ACS Style

Lindiane Bieseki; Raquel Simancas; Jose L. Jordá; Pablo J. Bereciartua; Ángel Cantín; Jorge Simancas; Sibele Pergher; Susana Valencia; Fernando Rey; Avelino Corma. Synthesis and structure determination via ultra-fast electron diffraction of the new microporous zeolitic germanosilicate ITQ-62. Chemical Communications 2018, 54, 2122 -2125.

AMA Style

Lindiane Bieseki, Raquel Simancas, Jose L. Jordá, Pablo J. Bereciartua, Ángel Cantín, Jorge Simancas, Sibele Pergher, Susana Valencia, Fernando Rey, Avelino Corma. Synthesis and structure determination via ultra-fast electron diffraction of the new microporous zeolitic germanosilicate ITQ-62. Chemical Communications. 2018; 54 (17):2122-2125.

Chicago/Turabian Style

Lindiane Bieseki; Raquel Simancas; Jose L. Jordá; Pablo J. Bereciartua; Ángel Cantín; Jorge Simancas; Sibele Pergher; Susana Valencia; Fernando Rey; Avelino Corma. 2018. "Synthesis and structure determination via ultra-fast electron diffraction of the new microporous zeolitic germanosilicate ITQ-62." Chemical Communications 54, no. 17: 2122-2125.

Journals
Published: 24 January 2018 in Chemical Science
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A highly stable Metal–Organic Framework with a hierarchical structure based on the Fe3O cluster and a TTF-based ligand is presented.

ACS Style

Manuel Souto; Andrea Santiago-Portillo; Miguel Palomino; Iñigo J. Vitórica-Yrezábal; Bruno J. C. Vieira; João Carlos Carlos Waerenborgh; Susana Valencia; Sergio Navalón; Fernando Rey; Hermenegildo García; Guillermo Mínguez Espallargas. A highly stable and hierarchical tetrathiafulvalene-based metal–organic framework with improved performance as a solid catalyst† †Electronic supplementary information (ESI) available. CCDC 1579606 (MUV-2). For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c7sc04829g. Chemical Science 2018, 9, 2413 -2418.

AMA Style

Manuel Souto, Andrea Santiago-Portillo, Miguel Palomino, Iñigo J. Vitórica-Yrezábal, Bruno J. C. Vieira, João Carlos Carlos Waerenborgh, Susana Valencia, Sergio Navalón, Fernando Rey, Hermenegildo García, Guillermo Mínguez Espallargas. A highly stable and hierarchical tetrathiafulvalene-based metal–organic framework with improved performance as a solid catalyst† †Electronic supplementary information (ESI) available. CCDC 1579606 (MUV-2). For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c7sc04829g. Chemical Science. 2018; 9 (9):2413-2418.

Chicago/Turabian Style

Manuel Souto; Andrea Santiago-Portillo; Miguel Palomino; Iñigo J. Vitórica-Yrezábal; Bruno J. C. Vieira; João Carlos Carlos Waerenborgh; Susana Valencia; Sergio Navalón; Fernando Rey; Hermenegildo García; Guillermo Mínguez Espallargas. 2018. "A highly stable and hierarchical tetrathiafulvalene-based metal–organic framework with improved performance as a solid catalyst† †Electronic supplementary information (ESI) available. CCDC 1579606 (MUV-2). For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c7sc04829g." Chemical Science 9, no. 9: 2413-2418.

Report
Published: 23 November 2017 in Science
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The discovery of new materials for separating ethylene from ethane by adsorption, instead of using cryogenic distillation, is a key milestone for molecular separations because of the multiple and widely extended uses of these molecules in industry. This technique has the potential to provide tremendous energy savings when compared with the currently used cryogenic distillation process for ethylene produced through steam cracking. Here we describe the synthesis and structural determination of a flexible pure silica zeolite (ITQ-55). This material can kinetically separate ethylene from ethane with an unprecedented selectivity of ~100, owing to its distinctive pore topology with large heart-shaped cages and framework flexibility. Control of such properties extends the boundaries for applicability of zeolites to challenging separations.

ACS Style

Pablo J. Bereciartua; Ángel Cantín; Avelino Corma; José L. Jordá; Miguel Palomino; Fernando Rey; Susana Valencia; Edward W. Corcoran Jr.; Pavel Kortunov; Peter I. Ravikovitch; Allen Burton; Chris Yoon; Yu Wang; Charanjit Paur; Javier Guzman; Adeana R. Bishop; Gary L. Casty. Control of zeolite framework flexibility and pore topology for separation of ethane and ethylene. Science 2017, 358, 1068 -1071.

AMA Style

Pablo J. Bereciartua, Ángel Cantín, Avelino Corma, José L. Jordá, Miguel Palomino, Fernando Rey, Susana Valencia, Edward W. Corcoran Jr., Pavel Kortunov, Peter I. Ravikovitch, Allen Burton, Chris Yoon, Yu Wang, Charanjit Paur, Javier Guzman, Adeana R. Bishop, Gary L. Casty. Control of zeolite framework flexibility and pore topology for separation of ethane and ethylene. Science. 2017; 358 (6366):1068-1071.

Chicago/Turabian Style

Pablo J. Bereciartua; Ángel Cantín; Avelino Corma; José L. Jordá; Miguel Palomino; Fernando Rey; Susana Valencia; Edward W. Corcoran Jr.; Pavel Kortunov; Peter I. Ravikovitch; Allen Burton; Chris Yoon; Yu Wang; Charanjit Paur; Javier Guzman; Adeana R. Bishop; Gary L. Casty. 2017. "Control of zeolite framework flexibility and pore topology for separation of ethane and ethylene." Science 358, no. 6366: 1068-1071.

Full paper
Published: 06 June 2017 in ChemSusChem
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A vapor‐phase adsorptive recovery process is proposed as an alternative way to isolate biobutanol from acetone–butanol–ethanol (ABE) fermentation media, offering several advantages compared to liquid phase separation. The effect of water, which is still present in large quantities in the vapor phase, on the adsorption of the organics could be minimized by using hydrophobic zeolites. Shape‐selective all‐silica zeolites CHA and LTA were prepared and evaluated with single‐component isotherms and breakthrough experiments. These zeolites show opposite selectivities; adsorption of ethanol is favorable on all‐silica CHA, whereas the LTA topology has a clear preference for butanol. The molecular sieving properties of both zeolites allow easy elimination of acetone from the mixture. The molecular interaction mechanisms are studied by density functional theory (DFT) simulations. The effects of mixture composition, humidity and total pressure of the vapor stream on the selectivity and separation behavior are investigated. Desorption profiles are studied to maximize butanol purity and recovery. The combination of LTA with CHA‐type zeolites (Si‐CHA or SAPO‐34) in sequential adsorption columns with alternating adsorption and desorption steps allows butanol to be recovered in unpreceded purity and yield. A butanol purity of 99.7 mol % could be obtained at nearly complete butanol recovery, demonstrating the effectiveness of this technique for biobutanol separation processes.

ACS Style

Stijn Van Der Perre; Pierre Gelin; Benjamin Claessens; Ana Martin-Calvo; Julien Cousin Saint Remi; Tim Duerinck; Gino V. Baron; Miguel Palomino; Ledys Y. Sánchez; Susana Valencia; Jin Shang; Ranjeet Singh; Paul A. Webley; Fernando Rey; Joeri F. M. Denayer. Intensified Biobutanol Recovery by using Zeolites with Complementary Selectivity. ChemSusChem 2017, 10, 2968 -2977.

AMA Style

Stijn Van Der Perre, Pierre Gelin, Benjamin Claessens, Ana Martin-Calvo, Julien Cousin Saint Remi, Tim Duerinck, Gino V. Baron, Miguel Palomino, Ledys Y. Sánchez, Susana Valencia, Jin Shang, Ranjeet Singh, Paul A. Webley, Fernando Rey, Joeri F. M. Denayer. Intensified Biobutanol Recovery by using Zeolites with Complementary Selectivity. ChemSusChem. 2017; 10 (14):2968-2977.

Chicago/Turabian Style

Stijn Van Der Perre; Pierre Gelin; Benjamin Claessens; Ana Martin-Calvo; Julien Cousin Saint Remi; Tim Duerinck; Gino V. Baron; Miguel Palomino; Ledys Y. Sánchez; Susana Valencia; Jin Shang; Ranjeet Singh; Paul A. Webley; Fernando Rey; Joeri F. M. Denayer. 2017. "Intensified Biobutanol Recovery by using Zeolites with Complementary Selectivity." ChemSusChem 10, no. 14: 2968-2977.

Journals
Published: 13 February 2017 in Chemical Science
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Crystalline materials comprising isolated discrete cavities show preferential gas sorption.

ACS Style

Mónica Giménez-Marqués; Néstor Calvo Galve; Miguel Palomino; Susana Valencia; Fernando Rey; Germán Sastre; Iñigo J. Vitórica-Yrezábal; Mónica Jiménez-Ruiz; J. Alberto Rodríguez-Velamazán; Miguel A. González; José L. Jordá; Eugenio Coronado; Guillermo Mínguez Espallargas. Gas confinement in compartmentalized coordination polymers for highly selective sorption. Chemical Science 2017, 8, 3109 -3120.

AMA Style

Mónica Giménez-Marqués, Néstor Calvo Galve, Miguel Palomino, Susana Valencia, Fernando Rey, Germán Sastre, Iñigo J. Vitórica-Yrezábal, Mónica Jiménez-Ruiz, J. Alberto Rodríguez-Velamazán, Miguel A. González, José L. Jordá, Eugenio Coronado, Guillermo Mínguez Espallargas. Gas confinement in compartmentalized coordination polymers for highly selective sorption. Chemical Science. 2017; 8 (4):3109-3120.

Chicago/Turabian Style

Mónica Giménez-Marqués; Néstor Calvo Galve; Miguel Palomino; Susana Valencia; Fernando Rey; Germán Sastre; Iñigo J. Vitórica-Yrezábal; Mónica Jiménez-Ruiz; J. Alberto Rodríguez-Velamazán; Miguel A. González; José L. Jordá; Eugenio Coronado; Guillermo Mínguez Espallargas. 2017. "Gas confinement in compartmentalized coordination polymers for highly selective sorption." Chemical Science 8, no. 4: 3109-3120.

Research article
Published: 24 October 2016 in The Journal of Physical Chemistry C
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The presence of Brønsted acid sites (SiOHAl) is crucial in many of the applications of zeolites in petroleum refining and related industries. This acidity relies on the number and location of acid sites, but the latter is difficult to know accurately in spite of a large number of experimental techniques available. Zeolites usually contain many types of acid sites depending on the crystallographic different O-sites and their chemical environment. In the present work we show how inelastic neutron scattering (INS) can be employed for an accurate determination of the location of Brønsted acid sites in zeolites. This is achieved using a sample of LTA zeolite with few defects of connectivity, few (O1H, O2H, O3H) crystallographically different oxygens, and high Si/Al ratio. The narrow and intense peaks corresponding to SiOH bending modes ca. 1100 cm–1 have been shown, using periodic DFT calculations, to strongly depend on the type of oxygen to which the proton is bonded. A comparison between calculations and INS experiments shows that a large majority of the protons in the sample are of the type O2H, which vibrate close to the small cavity of LTA.

ACS Style

Tetiana Lemishko; Susana Valencia; Fernando Rey; Mónica Jiménez-Ruiz; German Sastre. Inelastic Neutron Scattering Study on the Location of Brønsted Acid Sites in High Silica LTA Zeolite. The Journal of Physical Chemistry C 2016, 120, 24904 -24909.

AMA Style

Tetiana Lemishko, Susana Valencia, Fernando Rey, Mónica Jiménez-Ruiz, German Sastre. Inelastic Neutron Scattering Study on the Location of Brønsted Acid Sites in High Silica LTA Zeolite. The Journal of Physical Chemistry C. 2016; 120 (43):24904-24909.

Chicago/Turabian Style

Tetiana Lemishko; Susana Valencia; Fernando Rey; Mónica Jiménez-Ruiz; German Sastre. 2016. "Inelastic Neutron Scattering Study on the Location of Brønsted Acid Sites in High Silica LTA Zeolite." The Journal of Physical Chemistry C 120, no. 43: 24904-24909.

Journal article
Published: 16 May 2016 in Membranes
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In this work, mixed matrix membranes (MMMs) composed of small-pore zeolites with various topologies (CHA (Si/Al = 5), LTA (Si/Al = 1 and 5), and Rho (Si/Al = 5)) as dispersed phase, and the hugely permeable poly(1-trimethylsilyl-1-propyne) (PTMSP) as continuous phase, have been synthesized via solution casting, in order to obtain membranes that could be attractive for oxygen-enriched air production. The O2/N2 gas separation performance of the MMMs has been analyzed in terms of permeability, diffusivity, and solubility in the temperature range of 298–333 K. The higher the temperature of the oxygen-enriched stream, the lower the energy required for the combustion process. The effect of temperature on the gas permeability, diffusivity, and solubility of these MMMs is described in terms of the Arrhenius and Van’t Hoff relationships with acceptable accuracy. Moreover, the O2/N2 permselectivity of the MMMs increases with temperature, the O2/N2 selectivities being considerably higher than those of the pure PTMSP. In consequence, most of the MMMs prepared in this work exceeded the Robeson’s upper bound for the O2/N2 gas pair in the temperature range under study, with not much decrease in the O2 permeabilities, reaching O2/N2 selectivities of up to 8.43 and O2 permeabilities up to 4,800 Barrer at 333 K.

ACS Style

Ana Fernández-Barquín; Clara Casado-Coterillo; Susana Valencia Valencia; Angel Irabien. Mixed Matrix Membranes for O2/N2 Separation: The Influence of Temperature. Membranes 2016, 6, 28 .

AMA Style

Ana Fernández-Barquín, Clara Casado-Coterillo, Susana Valencia Valencia, Angel Irabien. Mixed Matrix Membranes for O2/N2 Separation: The Influence of Temperature. Membranes. 2016; 6 (2):28.

Chicago/Turabian Style

Ana Fernández-Barquín; Clara Casado-Coterillo; Susana Valencia Valencia; Angel Irabien. 2016. "Mixed Matrix Membranes for O2/N2 Separation: The Influence of Temperature." Membranes 6, no. 2: 28.

Research article
Published: 19 April 2016 in The Journal of Physical Chemistry C
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In this work, the adsorption of toluene on pure-silica MEL zeolite is investigated using a variety of experimental and simulation methods. Firstly, we measured the volumetric and calorimetric isotherms at 301~K and at 315~K. The volumetric adsorption isotherm presents a sub-step at a loading of roughly 4 molecules per unit cell that shifts to higher pressures at higher temperatures, and that coincides with a sudden increase in the isosteric heat of adsorption. Grand Canonical Monte Carlo simulations reveal that the sub-step at half load is caused by the adsorption of toluene molecules at different energetic sites within the porous network. According to this, toluene molecules occupy first the intersections and, once all intersections are filled, additional toluene molecules place themselves within the channels. The structure of the adsorbate/adsorbent system was further investigated by performing X-ray powder diffraction experiments of the zeolite at three different loads: empty, at half load (before the sub-step) and at high load (after the sub-step). Numerous new low intensity peaks and splittings of existing peaks at the empty and half loaded diffractograms appear in the diffraction pattern of the high load sample. Atomic structural models compatible with the experimental spectra were obtained by performing $N$-Reverse Monte Carlo simulations. Whereas at half load a good fit of the experimental diffraction pattern can be obtained using the rigid zeolite approximation, at high load, this is only possible when the flexibility of the zeolite is incorporated. In this structural model, the channel cross sections are deformed from a nearly circular shape in the empty zeolite to a more elliptical shape in the case of the high load zeolite.

ACS Style

Vicente Sánchez-Gil; Eva Gonzalez Noya; Alejandro Sanz; Sheima Khatib; José María Guil; Enrique Lomba; Ramona G. Marguta; Susana Valencia. Experimental and Simulation Studies of the Stepped Adsorption of Toluene on Pure-Silica MEL Zeolite. The Journal of Physical Chemistry C 2016, 120, 8640 -8652.

AMA Style

Vicente Sánchez-Gil, Eva Gonzalez Noya, Alejandro Sanz, Sheima Khatib, José María Guil, Enrique Lomba, Ramona G. Marguta, Susana Valencia. Experimental and Simulation Studies of the Stepped Adsorption of Toluene on Pure-Silica MEL Zeolite. The Journal of Physical Chemistry C. 2016; 120 (16):8640-8652.

Chicago/Turabian Style

Vicente Sánchez-Gil; Eva Gonzalez Noya; Alejandro Sanz; Sheima Khatib; José María Guil; Enrique Lomba; Ramona G. Marguta; Susana Valencia. 2016. "Experimental and Simulation Studies of the Stepped Adsorption of Toluene on Pure-Silica MEL Zeolite." The Journal of Physical Chemistry C 120, no. 16: 8640-8652.

Journal article
Published: 14 March 2016 in Inorganic Chemistry Frontiers
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Here we present two FeII coordination polymers that possess discrete compartments suitable for CO2 physisorption despite the lack of permanent channels.

ACS Style

Néstor Calvo Galve; Mónica Giménez-Marqués; Miguel Palomino; Susana Valencia; Fernando Rey; Guillermo Mínguez Espallargas; Eugenio Coronado. Isostructural compartmentalized spin-crossover coordination polymers for gas confinement. Inorganic Chemistry Frontiers 2016, 3, 808 -813.

AMA Style

Néstor Calvo Galve, Mónica Giménez-Marqués, Miguel Palomino, Susana Valencia, Fernando Rey, Guillermo Mínguez Espallargas, Eugenio Coronado. Isostructural compartmentalized spin-crossover coordination polymers for gas confinement. Inorganic Chemistry Frontiers. 2016; 3 (6):808-813.

Chicago/Turabian Style

Néstor Calvo Galve; Mónica Giménez-Marqués; Miguel Palomino; Susana Valencia; Fernando Rey; Guillermo Mínguez Espallargas; Eugenio Coronado. 2016. "Isostructural compartmentalized spin-crossover coordination polymers for gas confinement." Inorganic Chemistry Frontiers 3, no. 6: 808-813.