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Oxygen and ionic transport in hydrogel and silicone-hydrogel contact lens materials: An experimental and theoretical study

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Oxygen and ionic transport in hydrogel and silicone-hydrogel contact lens materials: An experimental and theoretical study

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dc.contributor.author Pozuelo, Javier es_ES
dc.contributor.author Compañ Moreno, Vicente es_ES
dc.contributor.author González Méijome, J.M. es_ES
dc.contributor.author González, María es_ES
dc.contributor.author Mollá Romano, Sergio es_ES
dc.date.accessioned 2015-06-09T11:13:14Z
dc.date.available 2015-06-09T11:13:14Z
dc.date.issued 2014-02-15
dc.identifier.issn 0376-7388
dc.identifier.uri http://hdl.handle.net/10251/51422
dc.description.abstract [EN] The transport of oxygen, water and naked ions of Na+ and Cl− across two kind of hydrogels materials, made of a conventional hydrogel (Hy) based on hydroxyethyl methacrylate (pHEMA) and a silicone hydrogel (Si-Hy) material containing siloxane moieties, was compared between Molecular Dynamics Simulations (MDS) and experimental measurements. Computer-assisted simulations were carried out for wet hydrogels at 310 K and equilibrium water uptake in the range from 10% to 40%. Our results show that in Si-Hy materials the aqueous hydrogel and hydrophobic siloxane phases are separated suggesting a co-continuous structure, and oxygen moves predominantly through the free volume of the hydrophobic siloxane phase. The values of diffusion coefficient of O2, water and Na+ and Cl− ions in Si-Hy was about one order of magnitude higher than in conventional hydrogels when the water content was above 25 wt% up to a critical value of 35 wt% where a percolation phenomenon is observed. The value of the oxygen diffusion coefficient obtained by simulations are roughly similar to that experimentally found using potentiostatic techniques. Values found experimentally for Na+ diffusion coefficients are between three or five times lower than MDS. For Si-Hy materials with 36 wt% of water the Na+ permeability, diffusion coefficient and salt partition coefficient (km=P/D) are 6.7±0.2×10−7 cm2/s, 1.8±0.5×10−6 cm2/s and 0.42±0.13, respectively. For Hy materials of 38.6 wt% the values found were 18.4±1.2×10−7 cm2/s, 5.4±1.0×10−6 cm2/s and 0.34±0.09, respectively. The coordination number between the fixed groups (single bondSiOsingle bond) and water in HEMA and the particles (O2, Cl− and Na+) is slightly larger than unity. The present study might be applied in the modeling of the gas transport in hydrogels as well as in novel polymeric structures for novel polymeric structures for new biomedical and technological applications with the aim of predicting and tuning their physiological behavior. es_ES
dc.description.sponsorship This work was supported by the project MAT2010-17091 from the Spanish Ministry of Science and Innovation.
dc.language Inglés es_ES
dc.publisher Elsevier es_ES
dc.relation MICINN/MAT2010-17091 es_ES
dc.relation.ispartof Journal of Membrane Science es_ES
dc.rights Reconocimiento - No comercial - Sin obra derivada (by-nc-nd) es_ES
dc.subject Silicone-Hydrogel es_ES
dc.subject Molecular Dynamics Simulation es_ES
dc.subject Gas transport simulation es_ES
dc.subject Ionic transport simulation es_ES
dc.subject.classification MAQUINAS Y MOTORES TERMICOS es_ES
dc.subject.classification FISICA APLICADA es_ES
dc.title Oxygen and ionic transport in hydrogel and silicone-hydrogel contact lens materials: An experimental and theoretical study es_ES
dc.type Artículo es_ES
dc.identifier.doi 10.1016/j.memsci.2013.10.010
dc.rights.accessRights Abierto es_ES
dc.contributor.affiliation Universitat Politècnica de València. Departamento de Termodinámica Aplicada - Departament de Termodinàmica Aplicada es_ES
dc.description.bibliographicCitation Pozuelo, J.; Compañ Moreno, V.; González Méijome, J.; González, M.; Mollá Romano, S. (2014). Oxygen and ionic transport in hydrogel and silicone-hydrogel contact lens materials: An experimental and theoretical study. Journal of Membrane Science. 452:62-72. doi:10.1016/j.memsci.2013.10.010 es_ES
dc.description.accrualMethod Senia es_ES
dc.relation.publisherversion http://dx.doi.org/10.1016/j.memsci.2013.10.010 es_ES
dc.description.upvformatpinicio 62 es_ES
dc.description.upvformatpfin 72 es_ES
dc.type.version info:eu-repo/semantics/publishedVersion es_ES
dc.description.volume 452 es_ES
dc.relation.senia 258159
dc.contributor.funder Ministerio de Ciencia e Innovación (MICINN)


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