Modeling dynamics of the external surface of zeolite LTA

Abril, Diana; Slater, Ben; Blanco, Cristian

doi:10.1016/j.micromeso.2009.04.010

Cited by 13 publications

(14 citation statements)

References 20 publications

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“…Zeolites are aluminosilicate based minerals that form rigid and porous lattices. They contain alkali or alkaline earth metal ions, such as Na + , K + , Ca ++ , Sr ++ , and Ge 4+ in order to maintain electrical neutrality . Each zeolite type has a unique lattice and framework structures, with pores, cavities, and channels of varying sizes and geometries .…”

Section: Introductionmentioning

confidence: 99%

“…They contain alkali or alkaline earth metal ions, such as Na + , K + , Ca ++ , Sr ++ , and Ge 4+ in order to maintain electrical neutrality . Each zeolite type has a unique lattice and framework structures, with pores, cavities, and channels of varying sizes and geometries . This characteristic allows for a wide range of applications as catalysts, gas absorbents, and ion‐exchange membranes or filters .…”

Section: Introductionmentioning

confidence: 99%

“…Each zeolite type has a unique lattice and framework structures, with pores, cavities, and channels of varying sizes and geometries . This characteristic allows for a wide range of applications as catalysts, gas absorbents, and ion‐exchange membranes or filters . Modification of zeolites by introducing molecules or ions into their cavities can further increase their potential uses in creating smart textile products .…”

Section: Introductionmentioning

confidence: 99%

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Modification of surface properties of wool fabric with linde type a nano‐zeolite

Carran

Ghosh

Dyer

2015

J of Applied Polymer Sci

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Wool is a naturally occurring composite fiber consisting of keratin and keratin-associated proteins as the key molecular components. The outermost surface of wool comprises a lipid layer that renders the surface hydrophobic, which hinders certain fabric processing steps and moisture management properties of wool fabrics. In this study, Linde Type A (LTA) nano-zeolite (a Na 1 -, Ca 21 -, and K 1 -exchanged type A zeolite) was integrated onto the surface of wool using 3-mercaptopropyl trimethoxy silane as a bridging agent. The resultant surface morphology, hydrophilicity, and mechanical performance of the treated wool fabrics were evaluated. Notably, the surface hydrophilicity of wool increased dramatically. When wool was treated with a dispersion of 1 wt % zeolite and 0.2 wt % silane, the water contact angle decreased from an average value of 1488 to 508 over a period of approximately 5 min. Scanning electron microscopic imaging indicated good coverage of the wool surface with zeolite particles, and infrared spectroscopic evaluation demonstrated strong bonding of the zeolite to wool keratins. The zeolite application showed no adverse effects on the tensile and other mechanical properties of the fabric. This study indicates that zeolite-based treatment is potentially an efficient approach to increasing the surface hydrophilicity and modifying other key surface properties such as softness of wool and wool fabrics. V C 2015Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2015, 132, 42392.

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Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Modification of surface properties of wool fabric with linde type a nano‐zeolite

Carran

Ghosh

Dyer

2015

J of Applied Polymer Sci

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“…The structure and stability of the external zeolite surfaces have been investigated computationally relatively often (see, e.g., Refs. [21][22][23][24]) and also the interaction between LZF or HLS layers were simulated for several materials; the interaction between MCM-22P layers was recently investigated using (relatively) small cluster models of two layers [25]. Computational chemistry tools have helped in understanding the structure of 3-D materials formed from the layered precursors, e.g., interlayer-expanded zeolites (IEZ type materials) IEZ-FER [26].…”

Section: Introductionmentioning

confidence: 99%

Theoretical investigation of layered zeolite frameworks: Interaction between IPC-1P layers derived from zeolite UTL

et al. 2013

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“…115,180,182,184,188,189 En el presente trabajo hemos utilizado la técnica de la dinámica molecular para estudiar el proceso de adsorción de metano en la zeolita Si-LTA en su etapas transitoria y estable. Nuestro modelo integra en la descripción del campo de fuerza la presencia de grupos silanol explícitamente.…”

Section: Conclusionesunclassified

Difusión Selectiva de Hidrocarburos en Zeolitas de Poro Pequeño a Partir de Técnicas de Simulación Molecular

Combariza¹,

Aldo²

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A Germán Sastre, director de mi tesis, por su incondicional apoyo y por su excepcional trabajo como tutor de mi trabajo doctoral.A Avelino Corma, por darme la oportunidad de trabajar en el ITQ, y por ser una fuente inagotable de inspiración.A Amparo Mifsud, por su ayuda y disposición, y por hacer del ITQ un lugar mucho mas amable.A Jaime Primo, un agradecimiento especial por su paciencia y por sus consejos.A Mónica, Inma y Marcos: su trabajo es altamente apreciado, su colaboración, sin duda alguna, hace mas fácil el camino.A José Sanchez Marín, profesor de la Universidad de Valencia, por su diligencia y colaboración.Un agradecimiento especial a Diego Gómez, por las muchas y fructíferas conversaciones sobre ciencia y computadores, pero sobre todo por ser un excelente compañero.A Siris, Peter, Angeles, Mer, Tirso, Adela por hacer del laboratorio un lugar de trabajo muy agradable.A Peter Vennestrøm una mención especial por su colaboración por hacer que el primer contacto que un grupo muy especial de niños tuvo con la ciencia fuera tan divertido y seguramente inolvidable.The most exciting phrase to hear in science, the one that heralds new discoveries, is not 'Eureka!' but 'That's funny ...' Isaac Asimov II Un agradecimiento muy especial a Yuriy Bushuev, por las enriquecedoras conversaciones que tuvimos mientras estuvo en el ITQ, y las que sin ninguna duda se darán en el futuro.Mis agradecimientos no estarían completos si no incluyeran a la persona que me abrió las puertas de la química teórica y computacional, a Scott M. Auerbach, por mostrarme el camino que seguramente seguiré recorriendo en el futuro.

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Modeling dynamics of the external surface of zeolite LTA

Cited by 13 publications

References 20 publications

Modification of surface properties of wool fabric with linde type a nano‐zeolite

Modification of surface properties of wool fabric with linde type a nano‐zeolite

Theoretical investigation of layered zeolite frameworks: Interaction between IPC-1P layers derived from zeolite UTL

Difusión Selectiva de Hidrocarburos en Zeolitas de Poro Pequeño a Partir de Técnicas de Simulación Molecular

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