Cargando…
Elucidating the Role of Tetraethylammonium in the Silicate Condensation Reaction from Ab Initio Molecular Dynamics Simulations
[Image: see text] The understanding of the formation of silicate oligomers in the initial stage of zeolite synthesis is important. The use of organic structure-directing agents (OSDAs) is known to be a key factor in the formation of different silicate species and the final zeolite structure. For exa...
Autores principales: | Mai, Ngoc Lan, Do, Ha T., Hoang, Nguyen Hieu, Nguyen, Anh H., Tran, Khanh-Quang, Meijer, Evert Jan, Trinh, Thuat T. |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
American Chemical
Society
2020
|
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7735729/ https://www.ncbi.nlm.nih.gov/pubmed/33119320 http://dx.doi.org/10.1021/acs.jpcb.0c06607 |
Ejemplares similares
-
The Role of Chloride
ion in the Silicate Condensation
Reaction from ab Initio Molecular Dynamics Simulations
por: Ho, Thi H., et al.
Publicado: (2023) -
Ab initio mechanism revealing for tricalcium silicate dissolution
por: Li, Yunjian, et al.
Publicado: (2022) -
TURBOMOLE: Modular program suite for ab initio quantum-chemical and condensed-matter simulations
por: Balasubramani, Sree Ganesh, et al.
Publicado: (2020) -
Ab Initio Investigation
of the Hydrogen Interaction
on Two Dimensional Silicon Carbide
por: Nguyen, Phi Minh, et al.
Publicado: (2022) -
Ab-Initio Molecular Dynamics Simulation of Condensed-Phase Reactivity: The Electrolysis of Amino Acids and Peptides
por: Kiakojouri, Ali, et al.
Publicado: (2020)