Ana Martin-Calvo (0000-0002-0284-6777)
Ana Martin-Calvo (0000-0002-0284-6777)
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Molecular simulations for adsorption and separation of natural gas in IRMOF-1 and Cu-BTC metal-organic frameworks
A Martín-Calvo, E García-Pérez, JM Castillo, S Calero
Physical Chemistry Chemical Physics 10 (47), 7085-7091, 2008
Fick diffusion coefficients in ternary liquid systems from equilibrium molecular dynamics simulations
X Liu, A Martín-Calvo, E McGarrity, SK Schnell, S Calero, JM Simon, ...
Industrial & engineering chemistry research 51 (30), 10247-10258, 2012
Zeolite screening for the separation of gas mixtures containing SO 2, CO 2 and CO
I Matito-Martos, A Martin-Calvo, JJ Gutiérrez-Sevillano, M Haranczyk, ...
Physical Chemistry Chemical Physics 16 (37), 19884-19893, 2014
Understanding carbon monoxide capture using metal–organic frameworks
A Martín-Calvo, FD Lahoz-Martín, S Calero
The Journal of Physical Chemistry C 116 (11), 6655-6663, 2012
Adsorption of hydrogen sulphide on metal-organic frameworks
JJ Gutiérrez-Sevillano, A Martín-Calvo, D Dubbeldam, S Calero, S Hamad
Rsc Advances 3 (34), 14737-14749, 2013
Insights on the anomalous adsorption of carbon dioxide in LTA zeolites
A Martin-Calvo, JB Parra, CO Ania, S Calero
The Journal of Physical Chemistry C 118 (44), 25460-25467, 2014
Enantioselective adsorption of ibuprofen and lysine in metal–organic frameworks
JH Thijs, TS ávan Erp
Chemical Communications 50 (74), 10849-10852, 2014
Analysis of the ITQ-12 zeolite performance in propane− propylene separations using a combination of experiments and molecular simulations
JJ Gutiérrez-Sevillano, D Dubbeldam, F Rey, S Valencia, M Palomino, ...
The Journal of Physical Chemistry C 114 (35), 14907-14914, 2010
Effect of air humidity on the removal of carbon tetrachloride from air using Cu–BTC metal–organic framework
A Martín-Calvo, E García-Pérez, A García-Sánchez, R Bueno-Pérez, ...
Physical Chemistry Chemical Physics 13 (23), 11165-11174, 2011
A new honeycomb carbon monolith for CO2 capture by rapid temperature swing adsorption using steam regeneration
B Verougstraete, A Martin-Calvo, S Van der Perre, G Baron, V Finsy, ...
Chemical Engineering Journal 383, 123075, 2020
Enantioselective adsorption in achiral zeolites
TS van Erp, TP Caremans, D Dubbeldam, A Martin‐Calvo, S Calero, ...
Angewandte Chemie 122 (17), 3074-3077, 2010
Role of hydrogen bonding in the capture and storage of ammonia in zeolites
I Matito-Martos, A Martin-Calvo, CO Ania, JB Parra, JM Vicent-Luna, ...
Chemical Engineering Journal 387, 124062, 2020
Transferable force fields for adsorption of small gases in zeolites
A Martin-Calvo, JJ Gutiérrez-Sevillano, JB Parra, CO Ania, S Calero
Physical Chemistry Chemical Physics 17 (37), 24048-24055, 2015
On the performance of Cu-BTC metal organic framework for carbon tetrachloride gas removal
S Calero, A Martín-Calvo, S Hamad, E García-Pérez
Chemical Communications 47 (1), 508-510, 2011
Selective separation of BTEX mixtures using metal–organic frameworks
FD Lahoz-Martín, A Martín-Calvo, S Calero
The Journal of Physical Chemistry C 118 (24), 13126-13136, 2014
Intensified biobutanol recovery by using zeolites with complementary selectivity
S Van der Perre, P Gelin, B Claessens, A Martin‐Calvo, ...
ChemSusChem 10 (14), 2968-2977, 2017
Zeolites for the selective adsorption of sulfur hexafluoride
I Matito-Martos, J Álvarez-Ossorio, JJ Gutiérrez-Sevillano, M Doblaré, ...
Physical Chemistry Chemical Physics 17 (27), 18121-18130, 2015
Identifying zeolite topologies for storage and release of hydrogen
A Martin-Calvo, JJ Gutiérrez-Sevillano, I Matito-Martos, TJH Vlugt, ...
The Journal of Physical Chemistry C 122 (23), 12485-12493, 2018
Improving ammonia production using zeolites
I Matito-Martos, J García-Reyes, A Martin-Calvo, D Dubbeldam, S Calero
The Journal of Physical Chemistry C 123 (30), 18475-18481, 2019
Adsorption equilibrium of nitrogen dioxide in porous materials
I Matito-Martos, A Rahbari, A Martin-Calvo, D Dubbeldam, TJH Vlugt, ...
Physical Chemistry Chemical Physics 20 (6), 4189-4199, 2018
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