ALUMINUM DOPING EFFECT ON HYDROLYSIS REACTION OF POROUS AMORPHOUS SILICA FOR HYDROGEN SEPARATION MEMBRANES

Jayoung Yoon, Ji Won Yu, Sangheon Lee

Research output: Chapter in Book/Report/Conference proceedingConference contributionpeer-review

Abstract

Silica membranes exhibit poor hydrothermal stability in moist atmospheres, which is the major problem for their application in hydrogen separation processes. In this work, we examine how the hydrothermal stability of amorphous silica (a-SiO2) pore surfaces is affected by aluminum doping by employing first-principles calculations combined with a multiscale approach. We find that the incorporation of aluminum atoms into the a-SiO2 surface network indeed leads to the strengthening of the hydrothermal stability of the a-SiO2 pore surfaces. Thermodynamics of the surface hydrolysis reaction proves to play a key role in stabilizing a-SiO2 pore surfaces, while the influence of kinetics is negligible.

Original languageEnglish
Title of host publicationEFC 2017 - Proceedings of the 7th European Fuel Cell Piero Lunghi Conference
EditorsViviana Cigolotti, Chiara Barchiesi, Michela Chianella
PublisherENEA
Pages445-446
Number of pages2
ISBN (Electronic)9788882863241
StatePublished - 2017
Event7th European Fuel Cell Piero Lunghi Conference, EFC 2017 - Naples, Italy
Duration: 12 Dec 201715 Dec 2017

Publication series

NameEFC 2017 - Proceedings of the 7th European Fuel Cell Piero Lunghi Conference

Conference

Conference7th European Fuel Cell Piero Lunghi Conference, EFC 2017
Country/TerritoryItaly
CityNaples
Period12/12/1715/12/17

Bibliographical note

Publisher Copyright:
© EFC 2017 - Proceedings of the 7th European Fuel Cell Piero Lunghi Conference.

Keywords

  • Density-functional theory
  • Hydrogen
  • Membrane
  • Separation

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