Water release from pyrophyllite during the dehydroxylation process explored by quantum mechanical simulations

  1. Molina-Montes, E.
  2. Donadio, D.
  3. Hernández-Laguna, A.
  4. Parrinello, M.
  5. Sainz-Díaz, C.I.
Revista:
Journal of Physical Chemistry C

ISSN: 1932-7447 1932-7455

Any de publicació: 2013

Volum: 117

Número: 15

Pàgines: 7526-7532

Tipus: Article

DOI: 10.1021/JP310739Y GOOGLE SCHOLAR