Items where Author is "Calero, S."

Article

García-Pérez, E. ; Parra, J. B. ; Ania, C. O. ; García-Sánchez, A. ; van Baten, J. M. ; Krishna, R. ; Dubbeldam, D. ; Calero, S. (2007) A computational study of CO₂, N₂ and CH₄ adsorption in zeolites Adsorption, 13 (5-6). pp. 469-476. ISSN 0929-5607

Krishna, R. ; van Baten, J. M. ; García-Pérez, E. ; Calero, S. (2006) Diffusion of CH₄ and CO₂ in MFI, CHA and DDR zeolites Chemical Physics Letters, 429 (1-3). pp. 219-224. ISSN 0009-2614

Krishna, R. ; van Baten, J. M. ; Garcia-Pérez, E. ; Calero, S. (2006) Incorporating the loading dependence of the Maxwell- Stefan diffusivity in the modeling of CH₄ and CO₂ permeation across zeolite membranes Industrial & Engineering Chemistry Research, 46 (10). pp. 2974-2986. ISSN 0888-5885

García-Pérez, E. ; Torréns, I. M. ; Lago, S. ; Dubbeldam, D. ; Vlugt, T. J. H. ; Maesen, T. L. M. ; Smit, B. ; Krishna, R. ; Calero, S. (2005) Elucidating alkane adsorption in sodium-exchanged zeolites from molecular simulations to empirical equations Applied Surface Science, 252 (3). pp. 716-722. ISSN 0169-4332

García-Pérez, E. ; Torréns, I. M. ; Lago, S. ; Krishna, R. ; Smit, B. ; Calero, S. (2005) Molecular simulation of adsorption of n-alkanes in Na-MFI zeolites. Determination of empirical expressions Studies in Surface Science and Catalysis, 158 . pp. 1097-1104. ISSN 0167-2991

Dubbeldam, D. ; Calero, S. ; Vlugt, T. J. H. ; Krishna, R. ; Maesen, T. L. M. ; Smit, B. (2004) United atom forcefield for alkanes in nanoporous materials The Journal of Physical Chemistry B, 108 (33). pp. 12301-12313. ISSN 1089-5647

Dubbeldam, D. ; Calero, S. ; Vlugt, T. J. H. ; Krishna, R. ; Maesen, T. L. M. ; Beerdsen, E. ; Smit, B. (2004) Force field parameterization through fitting on inflection points in isotherms Physical Review Letters, 93 (8). pp. 088302_1-088302_4. ISSN 0031-9007

Krishna, R. ; Calero, S. ; Smit, B. (2002) Investigation of entropy effects during sorption of mixtures of alkanes in MFI zeolite Chemical Engineering Journal, 88 (1-3). pp. 81-94. ISSN 1385-8947

Calero, S. ; Smit, B. ; Krishna, R. (2001) Configurational entropy effects during sorption of hexane isomers in Silicalite Journal of Catalysis, 202 (2). pp. 395-401. ISSN 0021-9517

Calero, S. ; Smit, B. ; Krishna, R. (2001) Separation of linear, mono-methyl and di-methyl alkanes in the 5-7 carbon atom range by exploiting configurational entropy effects during sorption on silicalite-1 Physical Chemistry Chemical Physics, 3 (19). pp. 4390-4398. ISSN 1463-9076