Simulation of Hydrogen Adsorption in Hierarchical Silicalite: Role of Electrostatics and Surface Chemistry
Adsorption in nanoporous materials is one strategy that can be used to store hydrogen at conditions of temperature and pressure that are economically viable. Adsorption capacity of nanoporous materials depends on surface area which can be enhanced by incorporating a hierarchical pore structure. We r...
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Published in | Chemphyschem Vol. 25; no. 17; pp. e202400360 - n/a |
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Abstract | Adsorption in nanoporous materials is one strategy that can be used to store hydrogen at conditions of temperature and pressure that are economically viable. Adsorption capacity of nanoporous materials depends on surface area which can be enhanced by incorporating a hierarchical pore structure. We report grand canonical Monte Carlo (GCMC) simulation results on the adsorption of hydrogen in hierarchical models of silicalite that incorporate 4 nm wide mesopores in addition to the 0.5 nm wide micropores at 298 K, using different force fields to model hydrogen. Our results suggest that incorporating mesopores in silicalite can enhance adsorption by at least 20 % if electrostatic interactions are not included and up to 100 % otherwise. Incorporating electrostatic interactions results in higher adsorption by close to 100 % at lower pressures for hierarchical silicalite whereas for unmodified silicalite, it is less significant at all pressures. Hydroxylating the mesopore surface in hierarchical silicalite results in an enhancement in adsorption at pressures below 1 atm and suppression by up to 20 % at higher pressures. Temperature dependence at selected pressures exhibits expected decrease in adsorption amounts at higher temperatures. These findings can be useful in the engineering, selection, and optimization of nanoporous materials for hydrogen storage.
Incorporating mesopores in microporous silicalite enhances its hydrogen adsorption capacity |
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AbstractList | Abstract Adsorption in nanoporous materials is one strategy that can be used to store hydrogen at conditions of temperature and pressure that are economically viable. Adsorption capacity of nanoporous materials depends on surface area which can be enhanced by incorporating a hierarchical pore structure. We report grand canonical Monte Carlo (GCMC) simulation results on the adsorption of hydrogen in hierarchical models of silicalite that incorporate 4 nm wide mesopores in addition to the 0.5 nm wide micropores at 298 K, using different force fields to model hydrogen. Our results suggest that incorporating mesopores in silicalite can enhance adsorption by at least 20 % if electrostatic interactions are not included and up to 100 % otherwise. Incorporating electrostatic interactions results in higher adsorption by close to 100 % at lower pressures for hierarchical silicalite whereas for unmodified silicalite, it is less significant at all pressures. Hydroxylating the mesopore surface in hierarchical silicalite results in an enhancement in adsorption at pressures below 1 atm and suppression by up to 20 % at higher pressures. Temperature dependence at selected pressures exhibits expected decrease in adsorption amounts at higher temperatures. These findings can be useful in the engineering, selection, and optimization of nanoporous materials for hydrogen storage. Adsorption in nanoporous materials is one strategy that can be used to store hydrogen at conditions of temperature and pressure that are economically viable. Adsorption capacity of nanoporous materials depends on surface area which can be enhanced by incorporating a hierarchical pore structure. We report grand canonical Monte Carlo (GCMC) simulation results on the adsorption of hydrogen in hierarchical models of silicalite that incorporate 4 nm wide mesopores in addition to the 0.5 nm wide micropores at 298 K, using different force fields to model hydrogen. Our results suggest that incorporating mesopores in silicalite can enhance adsorption by at least 20 % if electrostatic interactions are not included and up to 100 % otherwise. Incorporating electrostatic interactions results in higher adsorption by close to 100 % at lower pressures for hierarchical silicalite whereas for unmodified silicalite, it is less significant at all pressures. Hydroxylating the mesopore surface in hierarchical silicalite results in an enhancement in adsorption at pressures below 1 atm and suppression by up to 20 % at higher pressures. Temperature dependence at selected pressures exhibits expected decrease in adsorption amounts at higher temperatures. These findings can be useful in the engineering, selection, and optimization of nanoporous materials for hydrogen storage.Adsorption in nanoporous materials is one strategy that can be used to store hydrogen at conditions of temperature and pressure that are economically viable. Adsorption capacity of nanoporous materials depends on surface area which can be enhanced by incorporating a hierarchical pore structure. We report grand canonical Monte Carlo (GCMC) simulation results on the adsorption of hydrogen in hierarchical models of silicalite that incorporate 4 nm wide mesopores in addition to the 0.5 nm wide micropores at 298 K, using different force fields to model hydrogen. Our results suggest that incorporating mesopores in silicalite can enhance adsorption by at least 20 % if electrostatic interactions are not included and up to 100 % otherwise. Incorporating electrostatic interactions results in higher adsorption by close to 100 % at lower pressures for hierarchical silicalite whereas for unmodified silicalite, it is less significant at all pressures. Hydroxylating the mesopore surface in hierarchical silicalite results in an enhancement in adsorption at pressures below 1 atm and suppression by up to 20 % at higher pressures. Temperature dependence at selected pressures exhibits expected decrease in adsorption amounts at higher temperatures. These findings can be useful in the engineering, selection, and optimization of nanoporous materials for hydrogen storage. Adsorption in nanoporous materials is one strategy that can be used to store hydrogen at conditions of temperature and pressure that are economically viable. Adsorption capacity of nanoporous materials depends on surface area which can be enhanced by incorporating a hierarchical pore structure. We report grand canonical Monte Carlo (GCMC) simulation results on the adsorption of hydrogen in hierarchical models of silicalite that incorporate 4 nm wide mesopores in addition to the 0.5 nm wide micropores at 298 K, using different force fields to model hydrogen. Our results suggest that incorporating mesopores in silicalite can enhance adsorption by at least 20 % if electrostatic interactions are not included and up to 100 % otherwise. Incorporating electrostatic interactions results in higher adsorption by close to 100 % at lower pressures for hierarchical silicalite whereas for unmodified silicalite, it is less significant at all pressures. Hydroxylating the mesopore surface in hierarchical silicalite results in an enhancement in adsorption at pressures below 1 atm and suppression by up to 20 % at higher pressures. Temperature dependence at selected pressures exhibits expected decrease in adsorption amounts at higher temperatures. These findings can be useful in the engineering, selection, and optimization of nanoporous materials for hydrogen storage. Adsorption in nanoporous materials is one strategy that can be used to store hydrogen at conditions of temperature and pressure that are economically viable. Adsorption capacity of nanoporous materials depends on surface area which can be enhanced by incorporating a hierarchical pore structure. We report grand canonical Monte Carlo (GCMC) simulation results on the adsorption of hydrogen in hierarchical models of silicalite that incorporate 4 nm wide mesopores in addition to the 0.5 nm wide micropores at 298 K, using different force fields to model hydrogen. Our results suggest that incorporating mesopores in silicalite can enhance adsorption by at least 20 % if electrostatic interactions are not included and up to 100 % otherwise. Incorporating electrostatic interactions results in higher adsorption by close to 100 % at lower pressures for hierarchical silicalite whereas for unmodified silicalite, it is less significant at all pressures. Hydroxylating the mesopore surface in hierarchical silicalite results in an enhancement in adsorption at pressures below 1 atm and suppression by up to 20 % at higher pressures. Temperature dependence at selected pressures exhibits expected decrease in adsorption amounts at higher temperatures. These findings can be useful in the engineering, selection, and optimization of nanoporous materials for hydrogen storage. Incorporating mesopores in microporous silicalite enhances its hydrogen adsorption capacity |
Author | Cole, D. R. Dudás, Z. I. Dhiman, I. Gautam, S. |
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Cites_doi | 10.1038/s41557-022-01056-2 10.1063/1.1841160 10.1039/D0CP01206H 10.1080/23311916.2016.1167990 10.1063/1.466854 10.3390/nano10112274 10.1039/b517931a 10.3390/pr10020304 10.1016/S0144-2449(96)00067-X 10.1021/jp9730196 10.1107/S0021889808012016 10.1016/j.endeavour.2016.07.002 10.1038/s41467-019-09365-w 10.1016/j.cep.2014.02.010 10.1016/j.carbon.2009.09.060 10.1039/c2ee22037g 10.1039/D0CP03871G 10.1016/j.est.2023.108456 10.1016/j.carbon.2006.09.022 10.1038/386377a0 10.1080/0144235X.2014.988038 10.3390/en16135233 10.1039/C7TA08046H 10.1063/1.477109 10.1016/j.ijhydene.2007.08.009 10.1039/C4CE01711K 10.1016/j.ijhydene.2021.01.020 10.1006/jcis.1994.1023 10.1002/advs.202106117 10.1557/S0883769400053458 10.1016/0144-2449(94)90134-1 10.3390/c9040116 10.1533/9781845694944.3.223 10.1080/08927022.2013.839871 10.1016/j.egyr.2022.04.067 10.1021/jp0363287 10.1038/35104634 10.1260/0263-6174.32.1.73 10.1016/S0360-3199(01)00103-3 10.3390/molecules24010099 10.1016/j.electacta.2013.10.190 |
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References | 2017; 5 2021; 46 2015; 34 1990; 10 2015; 17 1996; 17 2023; 16 2019; 10 2006; 16 2023; 9 2022; , 8 1999; 24 1967; 46 2020; 10 2007; 32 2004; 108 2002; 27 2014; 128 1994; 100 2010; 48 2013; 39 2016; 3 2019; 24 1997; 386 2022; 9 1994; 162 2022; 14 2016; 40 1998; 109 2014; 79 2022; 10 2020; 22 2008; 41 1998; 102 2012; 5 2007; 45 2023; 72 2001; 414 2014; 32 e_1_2_10_23_1 e_1_2_10_46_1 e_1_2_10_24_1 e_1_2_10_45_1 e_1_2_10_21_1 e_1_2_10_44_1 e_1_2_10_22_1 e_1_2_10_43_1 e_1_2_10_42_1 e_1_2_10_20_1 e_1_2_10_41_1 e_1_2_10_40_1 e_1_2_10_1_1 e_1_2_10_2_1 e_1_2_10_4_1 e_1_2_10_18_1 e_1_2_10_3_1 e_1_2_10_19_1 e_1_2_10_6_1 e_1_2_10_16_1 e_1_2_10_39_1 e_1_2_10_5_1 e_1_2_10_17_1 e_1_2_10_38_1 e_1_2_10_8_1 e_1_2_10_14_1 e_1_2_10_37_1 e_1_2_10_7_1 e_1_2_10_15_1 e_1_2_10_36_1 e_1_2_10_12_1 e_1_2_10_9_1 e_1_2_10_13_1 e_1_2_10_34_1 e_1_2_10_10_1 e_1_2_10_33_1 e_1_2_10_11_1 e_1_2_10_32_1 e_1_2_10_31_1 e_1_2_10_30_1 McNaught A. D. (e_1_2_10_35_1) e_1_2_10_29_1 e_1_2_10_27_1 e_1_2_10_28_1 e_1_2_10_25_1 e_1_2_10_26_1 |
References_xml | – volume: 48 start-page: 452 issue: 2 year: 2010 publication-title: Carbon – volume: 108 start-page: 1255 issue: 4 year: 2004 end-page: 1266 publication-title: The Journal of Physical Chemistry B – volume: 24 start-page: 99 issue: 1 year: 2019 publication-title: Molecules – volume: 10 start-page: 1568 issue: 1 year: 2019 publication-title: Nature communications – volume: 10 start-page: 235 issue: 4 year: 1990 publication-title: Zeolites – volume: 102 start-page: 1466 issue: 8 year: 1998 publication-title: The Journal of Physical Chemistry B – volume: 79 start-page: 1 year: 2014 publication-title: Chemical Engineering and Processing: Process Intensification – volume: 32 start-page: 4998 issue: 18 year: 2007 publication-title: International Journal of Hydrogen Energy – volume: 22 start-page: 13951 issue: 25 year: 2020 publication-title: Physical Chemistry Chemical Physics – volume: , 8 start-page: 6258 year: 2022 publication-title: Energy Reports – volume: 128 start-page: 368 year: 2014 publication-title: Electrochimica Acta – volume: 17 start-page: 261 issue: 2 year: 2015 publication-title: CrystEngComm – volume: 34 start-page: 35 issue: 1 year: 2015 publication-title: International Reviews in Physical Chemistry – volume: 32 start-page: 73 issue: 1 year: 2014 publication-title: Adsorption Science & Technology – volume: 17 start-page: 501 issue: 5-6 year: 1996 publication-title: Zeolites – volume: 109 start-page: 4981 issue: 12 year: 1998 publication-title: The Journal of Chemical Physics – volume: 39 start-page: 1240 issue: 14-15 year: 2013 publication-title: Molecular Simulation – volume: 10 start-page: 2274 issue: 11 year: 2020 publication-title: Nanomaterials – volume: 72 year: 2023 publication-title: Journal of Energy Storage – volume: 22 start-page: 24561 issue: 42 year: 2020 publication-title: Physical Chemistry Chemical Physics – volume: 24 start-page: 45 issue: 11 year: 1999 publication-title: MRS bulletin – volume: 100 start-page: 7610 issue: 10 year: 1994 publication-title: The Journal of Chemical Physics – volume: 3 issue: 1 year: 2016 publication-title: Cogent Engineering – volume: 46 start-page: 2944 issue: 8 year: 1967 publication-title: The Journal of Chemical Physics – volume: 45 start-page: 293 issue: 2 year: 2007 publication-title: Carbon – volume: 40 start-page: 178 issue: 3 year: 2016 publication-title: Endeavour – volume: 14 start-page: 1214 issue: 11 year: 2022 publication-title: Nature Chemistry – start-page: 1669 publication-title: Compendium of chemical terminology – volume: 162 start-page: 182 issue: 1 year: 1994 publication-title: Journal of Colloid and Interface Science – volume: 16 start-page: 5233 issue: 13 year: 2023 publication-title: Energies – volume: 386 start-page: 377 issue: 6623 year: 1997 publication-title: Nature – volume: 5 start-page: 24775 issue: 47 year: 2017 publication-title: Journal of Materials Chemistry A – volume: 46 start-page: 11782 issue: 21 year: 2021 publication-title: International Journal of Hydrogen Energy – volume: 9 start-page: 116 issue: 4 year: 2023 publication-title: Carbon Res. – volume: 10 start-page: 304 issue: 2 year: 2022 publication-title: Processes – volume: 9 issue: 27 year: 2022 publication-title: Advanced Science – volume: 16 start-page: 1911 issue: 20 year: 2006 publication-title: Journal of Materials Chemistry – volume: 5 start-page: 8294 issue: 8 year: 2012 publication-title: Energy & Environmental Science – volume: 41 start-page: 653 issue: 3 year: 2008 publication-title: Journal of Applied crystallography – volume: 414 start-page: 353 issue: 6861 year: 2001 publication-title: Nature – volume: 27 start-page: 193 issue: 2 year: 2002 publication-title: International Journal of Hydrogen Energy – ident: e_1_2_10_6_1 doi: 10.1038/s41557-022-01056-2 – ident: e_1_2_10_40_1 doi: 10.1063/1.1841160 – ident: e_1_2_10_5_1 – ident: e_1_2_10_31_1 doi: 10.1039/D0CP01206H – ident: e_1_2_10_3_1 doi: 10.1080/23311916.2016.1167990 – ident: e_1_2_10_39_1 doi: 10.1063/1.466854 – ident: e_1_2_10_44_1 doi: 10.3390/nano10112274 – ident: e_1_2_10_36_1 doi: 10.1039/b517931a – ident: e_1_2_10_18_1 doi: 10.3390/pr10020304 – ident: e_1_2_10_27_1 doi: 10.1016/S0144-2449(96)00067-X – ident: e_1_2_10_29_1 doi: 10.1021/jp9730196 – ident: e_1_2_10_45_1 doi: 10.1107/S0021889808012016 – ident: e_1_2_10_2_1 doi: 10.1016/j.endeavour.2016.07.002 – ident: e_1_2_10_21_1 doi: 10.1038/s41467-019-09365-w – ident: e_1_2_10_42_1 doi: 10.1016/j.cep.2014.02.010 – ident: e_1_2_10_13_1 doi: 10.1016/j.carbon.2009.09.060 – ident: e_1_2_10_11_1 doi: 10.1039/c2ee22037g – ident: e_1_2_10_43_1 doi: 10.1039/D0CP03871G – ident: e_1_2_10_10_1 doi: 10.1016/j.est.2023.108456 – ident: e_1_2_10_46_1 – ident: e_1_2_10_16_1 doi: 10.1016/j.carbon.2006.09.022 – ident: e_1_2_10_15_1 doi: 10.1038/386377a0 – ident: e_1_2_10_24_1 doi: 10.1080/0144235X.2014.988038 – ident: e_1_2_10_8_1 doi: 10.3390/en16135233 – ident: e_1_2_10_33_1 doi: 10.1039/C7TA08046H – ident: e_1_2_10_38_1 doi: 10.1063/1.477109 – ident: e_1_2_10_19_1 doi: 10.1016/j.ijhydene.2007.08.009 – ident: e_1_2_10_23_1 doi: 10.1039/C4CE01711K – ident: e_1_2_10_22_1 doi: 10.1016/j.ijhydene.2021.01.020 – ident: e_1_2_10_26_1 doi: 10.1006/jcis.1994.1023 – ident: e_1_2_10_9_1 – ident: e_1_2_10_1_1 – ident: e_1_2_10_34_1 doi: 10.1002/advs.202106117 – ident: e_1_2_10_12_1 doi: 10.1557/S0883769400053458 – start-page: 1669 ident: e_1_2_10_35_1 publication-title: Compendium of chemical terminology contributor: fullname: McNaught A. D. – ident: e_1_2_10_25_1 doi: 10.1016/0144-2449(94)90134-1 – ident: e_1_2_10_32_1 doi: 10.3390/c9040116 – ident: e_1_2_10_17_1 doi: 10.1533/9781845694944.3.223 – ident: e_1_2_10_41_1 doi: 10.1080/08927022.2013.839871 – ident: e_1_2_10_7_1 doi: 10.1016/j.egyr.2022.04.067 – ident: e_1_2_10_37_1 doi: 10.1021/jp0363287 – ident: e_1_2_10_4_1 doi: 10.1038/35104634 – ident: e_1_2_10_28_1 doi: 10.1260/0263-6174.32.1.73 – ident: e_1_2_10_14_1 doi: 10.1016/S0360-3199(01)00103-3 – ident: e_1_2_10_30_1 doi: 10.3390/molecules24010099 – ident: e_1_2_10_20_1 doi: 10.1016/j.electacta.2013.10.190 |
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Snippet | Adsorption in nanoporous materials is one strategy that can be used to store hydrogen at conditions of temperature and pressure that are economically viable.... Abstract Adsorption in nanoporous materials is one strategy that can be used to store hydrogen at conditions of temperature and pressure that are economically... |
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SubjectTerms | Adsorption Electrostatics GCMC Simulations Hierarchical pores Hydrogen Hydrogen storage Silicalite Surface chemistry Temperature dependence |
Title | Simulation of Hydrogen Adsorption in Hierarchical Silicalite: Role of Electrostatics and Surface Chemistry |
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