69
Views
21
CrossRef citations to date
0
Altmetric
Original Articles

Modelling of hydrated Ca-rich zeolites

, , , &
Pages 649-661 | Published online: 26 Oct 2010

References

  • Catlow , C.R.A. , ed. 1992 . Modelling of Structure and Reactivity in Zeolites , London : Academic Press .
  • Faux , D.A. 1999 . "Molecular dynamics studies of hydrated zeolite 4A" . J. Phys. Chem. B , 103 : 7803
  • Faux , D.A. , Smith , W. and Forester , T.R. 1997 . "Molecular dynamics studies of hydrated and dehydrated Na +-zeolite-4A" . J. Phys. Chem. B , 101 : 1762
  • Hill , J.R. , Minihan , A.R. , Wimmer , E. and Adams , C.J. 2000 . "Framework dynamics including computer simulations of the water adsorption isotherm of zeolite Na-MAP" . Phys. Chem. Chem. Phys. , 2 : 4255
  • Channon , Y.M. , Catlow , C.R.A. , Gorman , A.M. and Jackson , R.A. 1998 . "Grand canonical Monte Carlo investigation of water adsorption in heulandite-type zeolites" . Microp. Mesop. Mater. , 102 : 4045
  • O'Connor , D. , Barnes , P. , Bates , D.R. and Lander , D.F. 1998 . "A hydration-controlled nano-valve in a zeolite?" . Chem. Commun. , : 2527
  • Ruiz-Salvador , A.R. , Lewis , D.W. , Rubayo-Soneira , J. , Rodríguez-Fuentes , G. , Sierra , L.R. and Catlow , C.R.A. 1998 . "Aluminium distribution in low Si/Al zeolites: dehydrated Na-Clinoptilolite" . J. Phys. Chem. B , 102 : 8417
  • Ruiz-Salvador , A.R. , Gómez , A. , Lewis , D.W. , Rodríguez-Fuentes , G. and Montero , L. 1999 . "Silicon-aluminium distribution in dehydrated Ca-Heulandite" . Phys. Chem. Chem. Phys. , 1 : 1679
  • Ruiz-Salvador , A.R. , Gómez , A. , Lewis , D.W. , Catlow , C.R.A. , Rodríguez-Albelo , L.M. , Montero , L. and Rodríguez-Fuentes , G. 2000 . "Clinoptilolite-heulandite polymorphism: structural features from computer simulation" . Phys. Chem. Chem. Phys. , 8 : 1803
  • Faghihian , H. , Marageh , M.G. and Kazemian , H. 1999 . "The use of clinoptilolite and its sodium form for removal of radioactive cesium, and strontium from nuclear wastewater and Pb 2+, Ni 2+, Cd 2+, Ba 2+ from municipal wastewater" . App. Radiation Isotopes , 50 : 655
  • Lam , A. , Sierra , L.R. , Rojas , G. , Rivera , A. , Rodríguez , G. and Motero , L. 1998 . "Theoretical study of the physical adsorption of aspirin on natural clinoptilolite" . Microp. Mesop. Mater. , 23 : 247
  • de Leeuw , N.H. and Parker , S.C. 1998 . "Molecular-dynamics simulation of MgO surfaces in liquid water using a shell-model potential for water" . Phys. Rev. B , 58 : 13901
  • de Leeuw , N.H. and Parker , S.C. 1999 . "Effect of chemisorption and physisorption of water on the surface structure and stability of alpha-alumina" . J. Am. Ceram. Soc. , 82 : 3209
  • Gale , J.D. 1997 . "GULP: A computer program for the symmetry-adapted simulation of solids" . J. Chem. Soc. Faraday Trans. , 93 : 629
  • Jackson , R.A. and Catlow , C.R.A. 1988 . "Computer Simulation Studies of Zeolite Structure" . Molec. Sim. , 1 : 207
  • Vezzalini , G. and Quartieri , S. 1993 . "Structural modifications induced by dehydration in the zeolite gismondine" . Zeolites , 13 : 34
  • Vezzalini , G. , Alberti , A. , Sani , A. and Triscari , M. 1999 . "The dehydration process in amicite" . Microp. Mesop. Mater. , 31 : 253
  • Cerius 2 (1998) version 4.0, Molecular Simulations Inc, San Diego, 1998.
  • Rouse , R.C. and Peacor , D.R. 1986 . "Crystal structure of the zeolite mineral Goosecreekite" . CaAl 2 Si 6 O 16 .5H 2 O. Am. Mineral , 71 : 1494
  • Almora-Barrios , N. , Gómez , A. , Ruiz-Salvador , A.R. , Mistry , M. and Lewis , D.W. 2001 . "Understanding Si-Al distributions in Al-rich zeolites: the role of water in determining the structure of Goosecreekite" . Chem. Commun. , : 531
  • Dunn , P.J. , Precor , D.R. , Newberry , N. and Ramik , R.A. 1980 . "Goosecreekite, a new calcium aluminium silicate hydrate possibly related to brewsterite and epistilbite" . Canadian Mineralogist , 18 : 323

Reprints and Corporate Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

To request a reprint or corporate permissions for this article, please click on the relevant link below:

Academic Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

Obtain permissions instantly via Rightslink by clicking on the button below:

If you are unable to obtain permissions via Rightslink, please complete and submit this Permissions form. For more information, please visit our Permissions help page.