Atomistic Simulation of Water Intrusion¿Extrusion in ITQ-4 (IFR) and ZSM-22 (TON). The role of Silanol Defects

• Published in: The Journal of Physical Chemistry C
• Main Authors: Bushuev, Yuriy, Sastre Navarro, German Ignacio
• Other Authors: Universitat Politècnica de València. Instituto Universitario Mixto de Tecnología Química - Institut Universitari Mixt de Tecnologia Química, Universitat Politècnica de València, Ministerio de Educación y Ciencia
• Format: Article in Journal/Newspaper
• Language: English
• Published: American Chemical Society 2011
• Subjects: Rigolet
• Online Access: http://hdl.handle.net/10251/28710; https://doi.org/10.1021/jp207020w

[EN] Water in pure silica zeolites (zeosils) may behave as a "bumper" by absorbing mechanical energy of the intruded water, as a "spring" by restoring after extrusion of the energy spent in intrusion, or as "shock absorber" by dissipating the energy. The understanding o...