Simulating intergrowth formation in zeolite crystals: impact on habit and functionality

Autor: Mollie Trueman, Duncan Akporiaye, Michael W. Anderson

Publikováno v: Faraday Discussions. 235:343-361

A kinetic Monte-Carlo methodology is presented for simulating crystal growth in materials which contain stacking faults. By simulating a large number of potential growth and dissolution events, a representation of the crystal is generated at various

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9935c4cc8b9e33411cf44a25e8062397
https://doi.org/10.1039/d1fd00097g

Structural changes in SAPO-34 due to hydrothermal treatment. A NMR, XRD, and DRIFTS study

Autor: Arne Grønvold, Jasmina Hafizovic Cavka, Knut Thorshaug, Bjørnar Arstad, Duncan Akporiaye, Helmer Fjellvåg, Anna Lind, David S. Wragg, Terje Fuglerud

Publikováno v: Microporous and Mesoporous Materials

When SAPO-34 is used as an industrial MTO catalyst, structural transformations leading to permanent deactivation are inevitable. The performance loss is linked principally to a redistribution of Si in the material, leading to the formation of Si-isla

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8945a0782846b14f09072757dc158119
https://doi.org/10.1016/j.micromeso.2016.01.024

CHA/AEI intergrowth materials as catalysts for the Methanol-to-Olefins process

Autor: Anna Lind, Rachel L. Smith, Pablo del Campo, Michael W. Anderson, Martin P. Attfield, Sachin Chavan, Stian Svelle, Terje Fuglerud, Bjørnar Arstad, Duncan Akporiaye

Publikováno v: Applied Catalysis A: General. 505:1-7

A series of SAPO-34/SAPO-18 intergrowth materials were prepared with a range of silicon content from 0.5 to 7.0%, where low levels of silicon resulted in SAPO-18 and higher levels resulted in CHA/AEI intergrowths. These materials were tested for thei

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::86a8e63880aa2ab29ce3333d869b9657
https://doi.org/10.1016/j.apcata.2015.06.027

Predicting crystal growth via a unified kinetic three-dimensional partition model

Autor: Nani Farida, Adam R. Hill, Pablo Cubillas, Julian D. Gale, Martin P. Attfield, Bjørnar Arstad, James T. Gebbie-Rayet, Vladislav A. Blatov, Duncan Akporiaye, Davide M. Proserpio, Michael W. Anderson

Publikováno v: Nature
Anderson, M, Gebbie-Rayet, J T, Hill, A, Farida, N, Attfield, M, Cubillas Gonzales, P, Blatov, V A, Proserpio, D M, Akporiaye, D, Arstad, B & Gale, J D 2017, ' Predicting crystal growth via a unified kinetic three-dimensional partition model ', Nature, vol. 544, pp. 456-459 . https://doi.org/10.1038/nature21684
Nature, 2017, Vol.544(7651), pp.456-459 [Peer Reviewed Journal]

A general simulation approach that can replicate, and in theory predict, the growth of a wide range of crystal types, including porous, molecular and ionic crystals, is demonstrated. Understanding crystal growth is essential for controlling functiona

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4975d32d8e5873f12497989fd5fdc959
https://hdl.handle.net/11250/2720675

Direct observation of catalyst behaviour under real working conditions with X-ray diffraction: Comparing SAPO-18 and SAPO-34 methanol to olefin catalysts

Autor: Duncan Akporiaye, David S. Wragg, Helmer Fjellvåg

Publikováno v: Journal of Catalysis. 279:397-402

We have made direct observations of the behaviour of the silicoaluminophosphate framework of the SAPO-18 catalyst under working conditions in the methanol to olefin conversion process. Time-resolved synchrotron powder X-ray diffraction data for the p

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::b073dd2f5359fc04b2042958cb8b5596
https://doi.org/10.1016/j.jcat.2011.02.011