Resolving the organization of CO 2 molecules confined in silica nanopores using in situ small-angle neutron scattering and molecular dynamics simulations

Mohammed, Sohaib; Liu, Meishen; Gadikota, Greeshma

doi:10.1039/d0en01282c

Title: Resolving the organization of CO ₂ molecules confined in silica nanopores using in situ small-angle neutron scattering and molecular dynamics simulations

Journal Article · Fri Jan 01 00:00:00 EST 2021 · Environmental Science: Nano

DOI:https://doi.org/10.1039/d0en01282c· OSTI ID:1853018

^[1]; Liu, Meishen ^[1];

^[1]

School of Civil and Environmental Engineering; Cornell University; Ithaca; USA

This work quantifies the core–shell structure of nano-confined CO₂molecules under pressure in silica pores usingin operandosmall-angle neutron scattering (SANS) measurements and molecular dynamics simulations.

Cite

Export

Save

Research Organization:: Univ. of Utah, Salt Lake City, UT (United States)

Sponsoring Organization:: USDOE Office of Science (SC)

DOE Contract Number:: SC0019285

OSTI ID:: 1853018

Journal Information:: Environmental Science: Nano, Vol. 8, Issue 7; ISSN 2051-8153

Publisher:: Royal Society of Chemistry

Country of Publication:: United States

Language:: English

References (87)

Bonding, Reactivity, and Dynamics in Confined Systems Chakraborty, Debdutta; Chattaraj, Pratim Kumar The Journal of Physical Chemistry A, Vol. 123, Issue 21 https://doi.org/10.1021/acs.jpca.9b00830	journal	March 2019
Electrochemical Reactivity under Confinement Enabled by Molecularly Pillared 2D and Layered Materials Fleischmann, Simon; Spencer, Michael A.; Augustyn, Veronica Chemistry of Materials, Vol. 32, Issue 8 https://doi.org/10.1021/acs.chemmater.0c00648	journal	March 2020
Effects of Molecular Confinement inside Single Walled Carbon Nanotubes on Chemical Reactivity − Atomic H + 1-Heptene Kondratyuk, Peter; Yates, John T. Journal of the American Chemical Society, Vol. 129, Issue 28 https://doi.org/10.1021/ja067142z	journal	July 2007
Influence of surface passivation and water content on mineral reactions in unsaturated porous media: Implications for brucite carbonation and CO2 sequestration Harrison, Anna L.; Dipple, Gregory M.; Power, Ian M. Geochimica et Cosmochimica Acta, Vol. 148 https://doi.org/10.1016/j.gca.2014.10.020	journal	January 2015
A discrete-pore-size-distribution-based gas–solid model and its application to the CaO+CO2 reaction Sun, Ping; Grace, John R.; Lim, C. Jim Chemical Engineering Science, Vol. 63, Issue 1 https://doi.org/10.1016/j.ces.2007.08.054	journal	January 2008
Effect of porosity on carbonation and hydration resistance of CaO materials Chen, Min; Wang, Nan; Yu, Jingkun Journal of the European Ceramic Society, Vol. 27, Issue 4 https://doi.org/10.1016/j.jeurceramsoc.2006.05.101	journal	January 2007
Integrated CO ₂ Capture, Conversion, and Storage To Produce Calcium Carbonate Using an Amine Looping Strategy Liu, Meishen; Gadikota, Greeshma Energy & Fuels, Vol. 33, Issue 3 https://doi.org/10.1021/acs.energyfuels.8b02803	journal	September 2018
Novel aqueous amine looping approach for the direct capture, conversion and storage of CO ₂ to produce magnesium carbonate Liu, Meishen; Asgar, Hassnain; Seifert, Soenke Sustainable Energy & Fuels, Vol. 4, Issue 3 https://doi.org/10.1039/C9SE00316A	journal	January 2020
Single-step, low temperature and integrated CO2 capture and conversion using sodium glycinate to produce calcium carbonate Liu, Meishen; Gadikota, Greeshma Fuel, Vol. 275 https://doi.org/10.1016/j.fuel.2020.117887	journal	September 2020
Multiphase carbon mineralization for the reactive separation of CO2 and directed synthesis of H2 Gadikota, Greeshma Nature Reviews Chemistry, Vol. 4, Issue 2 https://doi.org/10.1038/s41570-019-0158-3	journal	January 2020
Chemical and morphological changes during olivine carbonation for CO2 storage in the presence of NaCl and NaHCO3 Gadikota, Greeshma; Matter, Juerg; Kelemen, Peter Physical Chemistry Chemical Physics, Vol. 16, Issue 10 https://doi.org/10.1039/c3cp54903h	journal	January 2014
Elucidating the differences in the carbon mineralization behaviors of calcium and magnesium bearing alumino-silicates and magnesium silicates for CO2 storage Gadikota, Greeshma; Matter, Juerg; Kelemen, Peter Fuel, Vol. 277 https://doi.org/10.1016/j.fuel.2020.117900	journal	October 2020
Membrane technologies for CO2 separation Brunetti, A.; Scura, F.; Barbieri, G. Journal of Membrane Science, Vol. 359, Issue 1-2 https://doi.org/10.1016/j.memsci.2009.11.040	journal	September 2010
Separation of CO ₂ from Flue Gas: A Review Aaron, Douglas; Tsouris, Costas Separation Science and Technology, Vol. 40, Issue 1-3 https://doi.org/10.1081/SS-200042244	journal	January 2005
Tuning the Adsorption Properties of Zeolites as Adsorbents for CO ₂ Separation: Best Compromise between the Working Capacity and Selectivity García, Edder J.; Pérez-Pellitero, Javier; Pirngruber, Gerhard D. Industrial & Engineering Chemistry Research, Vol. 53, Issue 23 https://doi.org/10.1021/ie500207s	journal	May 2014
Adsorption of CO ₂ on Molecular Sieves and Activated Carbon Siriwardane, Ranjani V.; Shen, Ming-Shing; Fisher, Edward P. Energy & Fuels, Vol. 15, Issue 2 https://doi.org/10.1021/ef000241s	journal	March 2001
Activated Carbon Spheres for CO ₂ Adsorption Wickramaratne, Nilantha P.; Jaroniec, Mietek ACS Applied Materials & Interfaces, Vol. 5, Issue 5 https://doi.org/10.1021/am400112m	journal	February 2013
CO2 adsorption in single-walled carbon nanotubes Cinke, Martin; Li, Jing; Bauschlicher, Charles W. Chemical Physics Letters, Vol. 376, Issue 5-6 https://doi.org/10.1016/S0009-2614(03)01124-2	journal	July 2003
Adsorption of CO ₂ on Zeolites at Moderate Temperatures Siriwardane, Ranjani V.; Shen, Ming-Shing; Fisher, Edward P. Energy & Fuels, Vol. 19, Issue 3 https://doi.org/10.1021/ef040059h	journal	May 2005
Unconventional, Highly Selective CO ₂ Adsorption in Zeolite SSZ-13 Hudson, Matthew R.; Queen, Wendy L.; Mason, Jarad A. Journal of the American Chemical Society, Vol. 134, Issue 4 https://doi.org/10.1021/ja210580b	journal	January 2012
Adsorption of CO ₂ , CH ₄ , N ₂ O, and N ₂ on MOF-5, MOF-177, and Zeolite 5A Saha, Dipendu; Bao, Zongbi; Jia, Feng Environmental Science & Technology, Vol. 44, Issue 5 https://doi.org/10.1021/es9032309	journal	March 2010
CO2 capture using mesoporous alumina prepared by a sol–gel process Chen, Chao; Ahn, Wha-Seung Chemical Engineering Journal, Vol. 166, Issue 2 https://doi.org/10.1016/j.cej.2010.11.038	journal	January 2011
Amine–silica composites for CO2 capture: A short review Chen, Chao; Zhang, Siqian; Row, Kyung Ho Journal of Energy Chemistry, Vol. 26, Issue 5 https://doi.org/10.1016/j.jechem.2017.07.001	journal	September 2017
Insights of CO2 adsorption performance of amine impregnated mesoporous silica (SBA-15) at wide range pressure and temperature conditions Ullah, Ruh; Atilhan, Mert; Aparicio, Santiago International Journal of Greenhouse Gas Control, Vol. 43 https://doi.org/10.1016/j.ijggc.2015.09.013	journal	December 2015
A new mesoporous amine-TiO2 based pre-combustion CO2 capture technology Jiang, Guodong; Huang, Qinglin; Kenarsari, Saeed Danaei Applied Energy, Vol. 147 https://doi.org/10.1016/j.apenergy.2015.01.081	journal	June 2015
Development of monolithic adsorbent via polymeric sol–gel process for low-concentration CO2 capture Kong, Yong; Shen, Xiaodong; Cui, Sheng Applied Energy, Vol. 147 https://doi.org/10.1016/j.apenergy.2015.03.011	journal	June 2015
CO ₂ Capture and Separations Using MOFs: Computational and Experimental Studies Yu, Jiamei; Xie, Lin-Hua; Li, Jian-Rong Chemical Reviews, Vol. 117, Issue 14 https://doi.org/10.1021/acs.chemrev.6b00626	journal	April 2017
Functionalized MOFs for Enhanced CO ₂ Capture Torrisi, Antonio; Bell, Robert G.; Mellot-Draznieks, Caroline Crystal Growth & Design, Vol. 10, Issue 7 https://doi.org/10.1021/cg100646e	journal	July 2010
Trace Carbon Dioxide Capture by Metal–Organic Frameworks Liu, Jia; Wei, Yajuan; Zhao, Yanli ACS Sustainable Chemistry & Engineering, Vol. 7, Issue 1 https://doi.org/10.1021/acssuschemeng.8b05590	journal	November 2018
Amine-Impregnated Mesoporous Silica Nanotube as an Emerging Nanocomposite for CO ₂ Capture Niu, Mengya; Yang, Huaming; Zhang, Xiangchao ACS Applied Materials & Interfaces, Vol. 8, Issue 27 https://doi.org/10.1021/acsami.6b05044	journal	June 2016
Preparation and characterization of novel CO2 “molecular basket” adsorbents based on polymer-modified mesoporous molecular sieve MCM-41 Xu, Xiaochun; Song, Chunshan; Andrésen, John M. Microporous and Mesoporous Materials, Vol. 62, Issue 1-2 https://doi.org/10.1016/S1387-1811(03)00388-3	journal	August 2003
FTIR Study of CO₂ Adsorption on Amine-Grafted SBA-15: Elucidation of Adsorbed Species Danon, Alon; Stair, Peter C.; Weitz, Eric The Journal of Physical Chemistry C, Vol. 115, Issue 23, p. 11540-11549 https://doi.org/10.1021/jp200914v	journal	May 2011
Sorption Phase of Supercritical CO ₂ in Silica Aerogel: Experiments and Mesoscale Computer Simulations Rother, Gernot; Vlcek, Lukas; Gruszkiewicz, Miroslaw S. The Journal of Physical Chemistry C, Vol. 118, Issue 28 https://doi.org/10.1021/jp503739x	journal	July 2014
CO2-Induced displacement and diffusive transport of shale geofluids in silica nanopores of varying sizes Mohammed, Sohaib; Gadikota, Greeshma Journal of CO2 Utilization, Vol. 32 https://doi.org/10.1016/j.jcou.2019.03.023	journal	July 2019
Exploring the Role of Inorganic and Organic Interfaces on CO ₂ and CH ₄ Partitioning: Case Study of Silica, Illite, Calcite, and Kerogen Nanopores on Gas Adsorption and Nanoscale Transport Behaviors Mohammed, Sohaib; Gadikota, Greeshma Energy & Fuels, Vol. 34, Issue 3 https://doi.org/10.1021/acs.energyfuels.0c00052	journal	February 2020
CO ₂ –C ₄ H ₁₀ Mixtures Simulated in Silica Slit Pores: Relation between Structure and Dynamics Le, Thu; Striolo, Alberto; Cole, David R. The Journal of Physical Chemistry C, Vol. 119, Issue 27 https://doi.org/10.1021/acs.jpcc.5b03160	journal	June 2015
Selective H ₂ S/CO ₂ Separation by Metal–Organic Frameworks Based on Chemical-Physical Adsorption Liu, Jia; Wei, Yajuan; Li, Peizhou The Journal of Physical Chemistry C, Vol. 121, Issue 24 https://doi.org/10.1021/acs.jpcc.7b04465	journal	June 2017
Highly selective CO2 capture by S-doped microporous carbon materials Seema, Humaira; Kemp, K. Christian; Le, Nhien H. Carbon, Vol. 66 https://doi.org/10.1016/j.carbon.2013.09.006	journal	January 2014
Highly Selective CO ₂ Capture in Flexible 3D Coordination Polymer Networks Choi, Hye-Sun; Suh, Myunghyun Paik Angewandte Chemie International Edition, Vol. 48, Issue 37 https://doi.org/10.1002/anie.200902836	journal	September 2009
The Effect of Hydration on the Structure and Transport Properties of Confined Carbon Dioxide and Methane in Calcite Nanopores Mohammed, Sohaib; Gadikota, Greeshma Frontiers in Energy Research, Vol. 6 https://doi.org/10.3389/fenrg.2018.00086	journal	August 2018
Factors Governing the Enhancement of Hydrocarbon Recovery via H ₂ S and/or CO ₂ Injection: Insights from a Molecular Dynamics Study in Dry Nanopores Badmos, Sakiru B.; Bui, Tai; Striolo, Alberto The Journal of Physical Chemistry C, Vol. 123, Issue 39 https://doi.org/10.1021/acs.jpcc.9b04247	journal	September 2019
Partial CO ₂ Reduction in Amorphous Cylindrical Silica Nanopores Studied with Reactive Molecular Dynamics Simulations Le, Tran Thi Bao; Striolo, Alberto; Cole, David R. The Journal of Physical Chemistry C, Vol. 123, Issue 43 https://doi.org/10.1021/acs.jpcc.9b07344	journal	September 2019
Aqueous Hydrogen Sulfide in Slit-Shaped Silica Nanopores: Confinement Effects on Solubility, Structural, and Dynamical Properties Badmos, Sakiru B.; Striolo, Alberto; Cole, David R. The Journal of Physical Chemistry C, Vol. 122, Issue 26 https://doi.org/10.1021/acs.jpcc.8b04527	journal	May 2018
Adsorption of H ₂ S from Hydrocarbon Gas Using Doped Bentonite: A Molecular Simulation Study Lasich, Matthew ACS Omega, Vol. 5, Issue 31 https://doi.org/10.1021/acsomega.0c02934	journal	July 2020
The adsorption of hydrogen sulfide in calcite pores: A molecular simulation study Cai, Shouyin; Li, Qibin; Liu, Chao Journal of Molecular Liquids, Vol. 299 https://doi.org/10.1016/j.molliq.2019.112253	journal	February 2020
Molecular Dynamics Simulation of n -Alkanes and CO ₂ Confined by Calcite Nanopores Santos, Mirella S.; Franco, Luís F. M.; Castier, Marcelo Energy & Fuels, Vol. 32, Issue 2 https://doi.org/10.1021/acs.energyfuels.7b02451	journal	January 2018
Multiphase Monte Carlo and Molecular Dynamics Simulations of Water and CO ₂ Intercalation in Montmorillonite and Beidellite Makaremi, Meysam; Jordan, Kenneth D.; Guthrie, George D. The Journal of Physical Chemistry C, Vol. 119, Issue 27 https://doi.org/10.1021/acs.jpcc.5b01754	journal	June 2015
Probing the Core–Shell Organization of Nanoconfined Methane in Cylindrical Silica Pores Using In Situ Small-Angle Neutron Scattering and Molecular Dynamics Simulations Mohammed, Sohaib; Liu, Meishen; Liu, Yun Energy & Fuels, Vol. 34, Issue 12 https://doi.org/10.1021/acs.energyfuels.0c02237	journal	September 2020
Methane storage in advanced porous materials Makal, Trevor A.; Li, Jian-Rong; Lu, Weigang Chemical Society Reviews, Vol. 41, Issue 23 https://doi.org/10.1039/c2cs35251f	journal	January 2012
Methane storage in metal–organic frameworks He, Yabing; Zhou, Wei; Qian, Guodong Chem. Soc. Rev., Vol. 43, Issue 16 https://doi.org/10.1039/C4CS00032C	journal	January 2014
High-capacity methane storage in flexible alkane-linked porous aromatic network polymers Rozyyev, Vepa; Thirion, Damien; Ullah, Ruh Nature Energy, Vol. 4, Issue 7 https://doi.org/10.1038/s41560-019-0427-x	journal	July 2019
Hydrogen adsorption and storage on porous materials☆ Thomas, K. Mark Catalysis Today, Vol. 120, Issue 3-4 https://doi.org/10.1016/j.cattod.2006.09.015	journal	February 2007
Boron Nitride Porous Microbelts for Hydrogen Storage Weng, Qunhong; Wang, Xuebin; Zhi, Chunyi ACS Nano, Vol. 7, Issue 2, p. 1558-1565 https://doi.org/10.1021/nn305320v	journal	January 2013
MOF-Derived Hierarchically Porous Carbon with Exceptional Porosity and Hydrogen Storage Capacity Yang, Seung Jae; Kim, Taehoon; Im, Ji Hyuk Chemistry of Materials, Vol. 24, Issue 3 https://doi.org/10.1021/cm202554j	journal	December 2011
Gas Storage in Nanoporous Materials Morris, Russell E.; Wheatley, Paul S. Angewandte Chemie International Edition, Vol. 47, Issue 27 https://doi.org/10.1002/anie.200703934	journal	June 2008
Gas storage in porous metal–organic frameworks for clean energy applications Ma, Shengqian; Zhou, Hong-Cai Chem. Commun., Vol. 46, Issue 1 https://doi.org/10.1039/B916295J	journal	January 2010
Monitoring Phase Behavior of Sub- and Supercritical CO ₂ Confined in Porous Fractal Silica with 85% Porosity Melnichenko, Yuri B.; Mayama, H.; Cheng, G. Langmuir, Vol. 26, Issue 9 https://doi.org/10.1021/la904032p	journal	December 2009
Phase Behavior of Carbon Dioxide Confined in Silica Aerogel in the Vicinity of the Bulk Critical Point Ciccariello, Salvino; Melnichenko, Yuri B.; He, Lilin The Journal of Physical Chemistry C, Vol. 115, Issue 45 https://doi.org/10.1021/jp205189g	journal	October 2011
Linking CO ₂ Sorption Performance to Polymer Morphology in Aminopolymer/Silica Composites through Neutron Scattering Holewinski, Adam; Sakwa-Novak, Miles A.; Jones, Christopher W. Journal of the American Chemical Society, Vol. 137, Issue 36 https://doi.org/10.1021/jacs.5b06823	journal	September 2015
Reduction and analysis of SANS and USANS data using IGOR Pro Kline, Steven R. Journal of Applied Crystallography, Vol. 39, Issue 6, p. 895-900 https://doi.org/10.1107/S0021889806035059	journal	November 2006
Generalized Gradient Approximation Made Simple Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868 https://doi.org/10.1103/PhysRevLett.77.3865	journal	October 1996
A Broyden—Fletcher—Goldfarb—Shanno optimization procedure for molecular geometries Head, John D.; Zerner, Michael C. Chemical Physics Letters, Vol. 122, Issue 3 https://doi.org/10.1016/0009-2614(85)80574-1	journal	December 1985
Aqueous Methane in Slit-Shaped Silica Nanopores: High Solubility and Traces of Hydrates Phan, Anh; Cole, David R.; Striolo, Alberto The Journal of Physical Chemistry C, Vol. 118, Issue 9 https://doi.org/10.1021/jp500081t	journal	February 2014
Transport Mechanism of Guest Methane in Water-Filled Nanopores Bui, Tai; Phan, Anh; Cole, David R. The Journal of Physical Chemistry C, Vol. 121, Issue 29 https://doi.org/10.1021/acs.jpcc.7b02713	journal	May 2017
Molecular Models of Hydroxide, Oxyhydroxide, and Clay Phases and the Development of a General Force Field Cygan, Randall T.; Liang, Jian-Jie; Kalinichev, Andrey G. The Journal of Physical Chemistry B, Vol. 108, Issue 4 https://doi.org/10.1021/jp0363287	journal	January 2004
Vapor–liquid equilibria of mixtures containing alkanes, carbon dioxide, and nitrogen Potoff, Jeffrey J.; Siepmann, J. Ilja AIChE Journal, Vol. 47, Issue 7, p. 1676-1682 https://doi.org/10.1002/aic.690470719	journal	July 2001
A molecular dynamics method for simulations in the canonical ensemble Nosé, Shūichi Molecular Physics, Vol. 52, Issue 2 https://doi.org/10.1080/00268978400101201	journal	June 1984
Canonical dynamics: Equilibrium phase-space distributions Hoover, William G. Physical Review A, Vol. 31, Issue 3 https://doi.org/10.1103/PhysRevA.31.1695	journal	March 1985
Particle mesh Ewald: An N ⋅log( N ) method for Ewald sums in large systems Darden, Tom; York, Darrin; Pedersen, Lee The Journal of Chemical Physics, Vol. 98, Issue 12 https://doi.org/10.1063/1.464397	journal	June 1993
GROMACS: High performance molecular simulations through multi-level parallelism from laptops to supercomputers Abraham, Mark James; Murtola, Teemu; Schulz, Roland SoftwareX, Vol. 1-2 https://doi.org/10.1016/j.softx.2015.06.001	journal	September 2015
VMD: Visual molecular dynamics Humphrey, William; Dalke, Andrew; Schulten, Klaus Journal of Molecular Graphics, Vol. 14, Issue 1 https://doi.org/10.1016/0263-7855(96)00018-5	journal	February 1996
Multilevel structure of reinforcing silica and carbon Schaefer, D. W.; Rieker, T.; Agamalian, M. Journal of Applied Crystallography, Vol. 33, Issue 3 https://doi.org/10.1107/S0021889800001199	journal	June 2000
Small-angle scattering in materials science - a short review of applications in alloys, ceramics and composite materials Fratzl, Peter Journal of Applied Crystallography, Vol. 36, Issue 3 https://doi.org/10.1107/S0021889803000335	journal	April 2003
Ordered mesoporous molecular sieves synthesized by a liquid-crystal template mechanism Kresge, C. T.; Leonowicz, M. E.; Roth, W. J. Nature, Vol. 359, Issue 6397, p. 710-712 https://doi.org/10.1038/359710a0	journal	October 1992
Methane Adsorption in Model Mesoporous Material, SBA-15, Studied by Small-Angle Neutron Scattering Chiang, Wei-Shan; Fratini, Emiliano; Baglioni, Piero The Journal of Physical Chemistry C, Vol. 120, Issue 8 https://doi.org/10.1021/acs.jpcc.5b10688	journal	February 2016
Pore Size Effect on Methane Adsorption in Mesoporous Silica Materials Studied by Small-Angle Neutron Scattering Chiang, Wei-Shan; Fratini, Emiliano; Baglioni, Piero Langmuir, Vol. 32, Issue 35 https://doi.org/10.1021/acs.langmuir.6b02291	journal	August 2016
Gas adsorption in mcm-41 porous silicas dynamic measurements using sans Kallus, S.; Hahn, A.; Ramsay, J. D. F. The European Physical Journal E, Vol. 12, Issue S1 https://doi.org/10.1140/epjed/e2003-01-008-2	journal	November 2003
Adsorption of supercritical CO2 in aerogels as studied by small-angle neutron scattering and neutron transmission techniques Melnichenko, Y. B.; Wignall, G. D.; Cole, D. R. The Journal of Chemical Physics, Vol. 124, Issue 20 https://doi.org/10.1063/1.2202324	journal	May 2006
Characterization of multi-phase aerogels by contrast-matching SANS Merzbacher, Celia I.; Barker, John G.; Swider, Karen E. Journal of Non-Crystalline Solids, Vol. 225 https://doi.org/10.1016/S0022-3093(98)00044-1	journal	April 1998
Mechanistic insight into the displacement of CH ₄ by CO ₂ in calcite slit nanopores: the effect of competitive adsorption Sun, Haoyang; Zhao, Hui; Qi, Na RSC Advances, Vol. 6, Issue 106 https://doi.org/10.1039/C6RA23456A	journal	January 2016
Simulation to Enhance Shale Gas Recovery Using Carbon Dioxide in Silica Nanopores with Different Sizes Sun, Haoyang; Zhao, Hui; Qi, Na Energy Technology, Vol. 5, Issue 11 https://doi.org/10.1002/ente.201700166	journal	July 2017
Tests of excess entropy scaling laws for diffusion of methane in silica nanopores He, Peng; Liu, Hui; Zhu, Jiqin Chemical Physics Letters, Vol. 535 https://doi.org/10.1016/j.cplett.2012.03.047	journal	May 2012
Argon Adsorption on MCM-41 Mesoporous Crystal Studied by In Situ Synchrotron Powder X-ray Diffraction Muroyama, Norihiro; Yoshimura, Arisa; Kubota, Yoshiki The Journal of Physical Chemistry C, Vol. 112, Issue 29 https://doi.org/10.1021/jp800385t	journal	June 2008
Small-angle x-ray diffraction of Kr in mesoporous silica: Effects of microporosity and surface roughness Hofmann, T.; Wallacher, D.; Huber, P. Physical Review B, Vol. 72, Issue 6 https://doi.org/10.1103/PhysRevB.72.064122	journal	August 2005
Adsorption of CO2/CH4 and CO2/N2 mixtures in SBA-15 and CMK-5 in the presence of water: A computer simulation study Sizova, Anastasia A.; Sizov, Vladimir V.; Brodskaya, Elena N. Colloids and Surfaces A: Physicochemical and Engineering Aspects, Vol. 474 https://doi.org/10.1016/j.colsurfa.2015.03.008	journal	June 2015
Adsorption of CO2 from dry gases on MCM-41 silica at ambient temperature and high pressure. 2: Adsorption of CO2/N2, CO2/CH4 and CO2/H2 binary mixtures Belmabkhout, Youssef; Sayari, Abdelhamid Chemical Engineering Science, Vol. 64, Issue 17 https://doi.org/10.1016/j.ces.2009.05.039	journal	September 2009
The Hydrogen Bond in the Solid State Steiner, Thomas Angewandte Chemie International Edition, Vol. 41, Issue 1 https://doi.org/10.1002/1521-3773(20020104)41:1<48::AID-ANIE48>3.0.CO;2-U	journal	January 2002

Similar Records

Resolving the organization of CO ₂ molecules confined in silica nanopores using in situ small-angle neutron scattering and molecular dynamics simulations

Journal Article · Thu Jul 15 00:00:00 EDT 2021 · Environmental Science: Nano · OSTI ID:1853018

Mohammed, Sohaib; Liu, Meishen; Gadikota, Greeshma

Probing the Core–Shell Organization of Nanoconfined Methane in Cylindrical Silica Pores Using In Situ Small-Angle Neutron Scattering and Molecular Dynamics Simulations

Journal Article · Tue Sep 15 00:00:00 EDT 2020 · Energy and Fuels · OSTI ID:1853018

Mohammed, Sohaib; Liu, Meishen; Liu, Yun; +1 more

Structure of ice confined in silica nanopores

Journal Article · Mon May 17 00:00:00 EDT 2021 · Physical Chemistry Chemical Physics. PCCP · OSTI ID:1853018

Mohammed, Sohaib; Asgar, Hassnain; Benmore, Chris J.; +1 more

Related Subjects

Chemistry
Environmental Sciences & Ecology
Science & Technology - Other Topics

Title: Resolving the organization of CO 2 molecules confined in silica nanopores using in situ small-angle neutron scattering and molecular dynamics simulations

Citation Formats

References (87)

Similar Records

Related Subjects

Title: Resolving the organization of CO ₂ molecules confined in silica nanopores using in situ small-angle neutron scattering and molecular dynamics simulations