Distribution and Mobility of Amines Confined in Porous Silica Supports Assessed via Neutron Scattering, NMR, and MD Simulations: Impacts on CO 2 Sorption Kinetics and Capacities

Moon, Hyun June; Carrillo, Jan Michael Y.; Jones, Christopher W.

doi:10.1021/acs.accounts.3c00363

Distribution and Mobility of Amines Confined in Porous Silica Supports Assessed via Neutron Scattering, NMR, and MD Simulations: Impacts on CO ₂ Sorption Kinetics and Capacities

Journal Article · Mon Sep 18 04:00:00 EDT 2023 · Accounts of Chemical Research

DOI:https://doi.org/10.1021/acs.accounts.3c00363· OSTI ID:2001016

Moon, Hyun June ^[1]; Carrillo, Jan Michael Y. ^[2]; ^[1]

School of Chemical & Biomolecular Engineering, Georgia Institute of Technology, Atlanta, Georgia 30332, United States
Center of Nanophase Materials Sciences, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37830, United States

Not Available

View Journal Article

Sponsoring Organization:: USDOE

Grant/Contract Number:: SC0012577

OSTI ID:: 2001016

Alternate ID(s):: OSTI ID: 2007700

Journal Information:: Accounts of Chemical Research, Journal Name: Accounts of Chemical Research Journal Issue: 19 Vol. 56; ISSN 0001-4842

Publisher:: American Chemical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

References (60)

Mixed Diethanolamine and Polyethyleneimine with Enhanced CO₂ Capture Capacity from Air Miao, Yihe; Wang, Yaozu; Ge, Bingyao Advanced Science, Vol. 10, Issue 16 https://doi.org/10.1002/advs.202207253	journal	April 2023
Amine Grafting on Coordinatively Unsaturated Metal Centers of MOFs: Consequences for Catalysis and Metal Encapsulation Hwang, Young Kyu; Hong, Do-Young; Chang, Jong-San Angewandte Chemie, Vol. 120, Issue 22 https://doi.org/10.1002/ange.200705998	journal	May 2008
Targeted Synthesis of a Porous Aromatic Framework with High Stability and Exceptionally High Surface Area Ben, Teng; Ren, Hao; Ma, Shengqian Angewandte Chemie International Edition, Vol. 48, Issue 50, p. 9457-9460 https://doi.org/10.1002/anie.200904637	journal	November 2009
Carbon Dioxide Capture: Prospects for New Materials D'Alessandro, Deanna M.; Smit, Berend; Long, Jeffrey R. Angewandte Chemie International Edition, Vol. 49, Issue 35, p. 6058-6082 https://doi.org/10.1002/anie.201000431	journal	July 2010
Polyamine-Tethered Porous Polymer Networks for Carbon Dioxide Capture from Flue Gas Lu, Weigang; Sculley, Julian P.; Yuan, Daqiang Angewandte Chemie International Edition, Vol. 51, Issue 30, p. 7480-7484 https://doi.org/10.1002/anie.201202176	journal	June 2012
Efficient CO2 Capturer Derived from As-Synthesized MCM-41 Modified with Amine Yue, Ming Bo; Sun, Lin Bing; Cao, Yi Chemistry - A European Journal, Vol. 14, Issue 11 https://doi.org/10.1002/chem.200701467	journal	April 2008
Enhanced CO ₂ Adsorption over Polymeric Amines Supported on Heteroatom-Incorporated SBA-15 Silica: Impact of Heteroatom Type and Loading on Sorbent Structure and Adsorption Performance Kuwahara, Yasutaka; Kang, Dun-Yen; Copeland, John R. Chemistry - A European Journal, Vol. 18, Issue 52 https://doi.org/10.1002/chem.201203144	journal	November 2012
In Situ Infrared Study of the Role of PEG in Stabilizing Silica-Supported Amines for CO2 Capture Tanthana, Jak; Chuang, Steven S. C. ChemSusChem, Vol. 3, Issue 8 https://doi.org/10.1002/cssc.201000090	journal	August 2010
Amine-Tethered Solid Adsorbents Coupling High Adsorption Capacity and Regenerability for CO2 Capture From Ambient Air Choi, Sunho; Gray, McMahan L.; Jones, Christopher W. ChemSusChem, Vol. 4, Issue 5 https://doi.org/10.1002/cssc.201000355	journal	May 2011
Alkylamine-Tethered Stable Metal-Organic Framework for CO ₂ Capture from Flue Gas Hu, Yingli; Verdegaal, Wolfgang M.; Yu, Shu-Hong ChemSusChem, Vol. 7, Issue 3 https://doi.org/10.1002/cssc.201301163	journal	January 2014
Macroporous Silica with Thick Framework for Steam-Stable and High-Performance Poly(ethyleneimine)/Silica CO ₂ Adsorbent Min, Kyungmin; Choi, Woosung; Choi, Minkee ChemSusChem, Vol. 10, Issue 11 https://doi.org/10.1002/cssc.201700398	journal	May 2017
The reaction of CO2 with ethanolamines Danckwerts, P. V. Chemical Engineering Science, Vol. 34, Issue 4 https://doi.org/10.1016/0009-2509(79)85087-3	journal	January 1979
CO2 capture on polyethylenimine-impregnated hydrophobic mesoporous silica: Experimental and kinetic modeling Heydari-Gorji, Aliakbar; Sayari, Abdelhamid Chemical Engineering Journal, Vol. 173, Issue 1 https://doi.org/10.1016/j.cej.2011.07.038	journal	September 2011
Development of Post-combustion CO2 Capture System Using Amine-impregnated Solid Sorbent Numaguchi, Ryohei; Fujiki, Junpei; Yamada, Hidetaka Energy Procedia, Vol. 114 https://doi.org/10.1016/j.egypro.2017.03.1371	journal	July 2017
A CO2-selective molecular gate of poly(amidoamine) dendrimer immobilized in a poly(ethylene glycol) network Taniguchi, Ikuo; Urai, Hiromi; Kai, Teruhiko Journal of Membrane Science, Vol. 444 https://doi.org/10.1016/j.memsci.2013.05.017	journal	October 2013
Promoting the CO2 adsorption in the amine-containing SBA-15 by hydroxyl group Yue, Ming Bo; Sun, Lin Bing; Cao, Yi Microporous and Mesoporous Materials, Vol. 114, Issue 1-3 https://doi.org/10.1016/j.micromeso.2007.12.016	journal	September 2008
Periodic mesoporous organic–inorganic hybrid materials: Applications in membrane separations and adsorption Kumar, Parveen; Guliants, Vadim V. Microporous and Mesoporous Materials, Vol. 132, Issue 1-2 https://doi.org/10.1016/j.micromeso.2010.02.007	journal	July 2010
Amine–Oxide Hybrid Materials for CO ₂ Capture from Ambient Air Didas, Stephanie A.; Choi, Sunho; Chaikittisilp, Watcharop Accounts of Chemical Research, Vol. 48, Issue 10 https://doi.org/10.1021/acs.accounts.5b00284	journal	September 2015
Aminopolymer-Impregnated Hierarchical Silica Structures: Unexpected Equivalent CO ₂ Uptake under Simulated Air Capture and Flue Gas Capture Conditions Kwon, Hyuk Taek; Sakwa-Novak, Miles A.; Pang, Simon H. Chemistry of Materials, Vol. 31, Issue 14 https://doi.org/10.1021/acs.chemmater.9b01474	journal	June 2019
Progress in Amine-Functionalized Silica for CO₂ Capture: Important Roles of Support and Amine Structure Fan, Yanfang; Jia, Xiaohao Energy & Fuels, Vol. 36, Issue 3 https://doi.org/10.1021/acs.energyfuels.1c03788	journal	January 2022
Water Enhancement in CO ₂ Capture by Amines: An Insight into CO ₂ –H ₂ O Interactions on Amine Films and Sorbents Yu, Jie; Zhai, Yuxin; Chuang, Steven S. C. Industrial & Engineering Chemistry Research, Vol. 57, Issue 11 https://doi.org/10.1021/acs.iecr.7b05114	journal	March 2018
Aminopolymer Mobility and Support Interactions in Silica-PEI Composites for CO ₂ Capture Applications: A Quasielastic Neutron Scattering Study Holewinski, Adam; Sakwa-Novak, Miles A.; Carrillo, Jan-Michael Y. The Journal of Physical Chemistry B, Vol. 121, Issue 27 https://doi.org/10.1021/acs.jpcb.7b04106	journal	June 2017
Probing the Morphology and Mobility of Amines in Porous Silica CO₂ Sorbents by ¹H T₁–T₂ Relaxation Correlation NMR Moon, Hyun June; Sekiya, Ryoh-Suke; Jones, Christopher W. The Journal of Physical Chemistry C, Vol. 127, Issue 24 https://doi.org/10.1021/acs.jpcc.3c02441	journal	June 2023
Fundamental Insight into Humid CO₂ Uptake in Direct Air Capture Nanocomposites Using Fluorescence and Portable NMR Relaxometry Russell-Parks, Glory A.; Leick, Noemi; Marple, Maxwell A. T. The Journal of Physical Chemistry C, Vol. 127, Issue 31 https://doi.org/10.1021/acs.jpcc.3c03653	journal	July 2023
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
Rapid Structural Analysis of Minute Quantities of Organic Solids by Exhausting ¹H Polarization in Solid-State NMR Spectroscopy Under Fast Magic Angle Spinning Yan, Zhiwei; Zhang, Rongchun The Journal of Physical Chemistry Letters, Vol. 12, Issue 50 https://doi.org/10.1021/acs.jpclett.1c03672	journal	December 2021
Unraveling the Dynamics of Aminopolymer/Silica Composites Carrillo, Jan-Michael Y.; Sakwa-Novak, Miles A.; Holewinski, Adam Langmuir, Vol. 32, Issue 11 https://doi.org/10.1021/acs.langmuir.5b04299	journal	March 2016
Linking Silica Support Morphology to the Dynamics of Aminopolymers in Composites Carrillo, Jan-Michael Y.; Potter, Matthew E.; Sakwa-Novak, Miles A. Langmuir, Vol. 33, Issue 22 https://doi.org/10.1021/acs.langmuir.7b00283	journal	May 2017
Role of Additives in Composite PEI/Oxide CO ₂ Adsorbents: Enhancement in the Amine Efficiency of Supported PEI by PEG in CO ₂ Capture from Simulated Ambient Air Sakwa-Novak, Miles A.; Tan, Shuai; Jones, Christopher W. ACS Applied Materials & Interfaces, Vol. 7, Issue 44 https://doi.org/10.1021/acsami.5b07545	journal	November 2015
Polyethylene Glycol (PEG) Addition to Polyethylenimine (PEI)-Impregnated Silica Increases Amine Accessibility during CO ₂ Sorption Wang, Linxi; Al-Aufi, Mohammed; Pacheco, Carlos N. ACS Sustainable Chemistry & Engineering, Vol. 7, Issue 17 https://doi.org/10.1021/acssuschemeng.9b02798	journal	August 2019
In Situ ATR and DRIFTS Studies of the Nature of Adsorbed CO ₂ on Tetraethylenepentamine Films Wilfong, Walter Christopher; Srikanth, Chakravartula S.; Chuang, Steven S. C. ACS Applied Materials & Interfaces, Vol. 6, Issue 16 https://doi.org/10.1021/am5031006	journal	August 2014
Porous Polymer Networks: Synthesis, Porosity, and Applications in Gas Storage/Separation Lu, Weigang; Yuan, Daqiang; Zhao, Dan Chemistry of Materials, Vol. 22, Issue 21, p. 5964-5972 https://doi.org/10.1021/cm1021068	journal	November 2010
Novel Polyethylenimine-Modified Mesoporous Molecular Sieve of MCM-41 Type as High-Capacity Adsorbent for CO₂ Capture Xu, Xiaochun; Song, Chunshan; Andresen, John M. Energy & Fuels, Vol. 16, Issue 6, p. 1463-1469 https://doi.org/10.1021/ef020058u	journal	November 2002
Effect of the Pore Length on CO ₂ Adsorption over Amine-Modified Mesoporous Silicas Heydari-Gorji, Aliakbar; Yang, Yong; Sayari, Abdelhamid Energy & Fuels, Vol. 25, Issue 9 https://doi.org/10.1021/ef200765f	journal	September 2011
Carbon Dioxide Reaction Kinetics and Transport in Aqueous Amine Membranes Donaldson, Terrence L.; Nguyen, Yen N. Industrial & Engineering Chemistry Fundamentals, Vol. 19, Issue 3 https://doi.org/10.1021/i160075a005	journal	August 1980
Amine-Grafted MCM-48 and Silica Xerogel as Superior Sorbents for Acidic Gas Removal from Natural Gas Huang, Helen Y.; Yang, Ralph T.; Chinn, Daniel Industrial & Engineering Chemistry Research, Vol. 42, Issue 12 https://doi.org/10.1021/ie020440u	journal	June 2003
Applications of Pore-Expanded Mesoporous Silica. 2. Development of a High-Capacity, Water-Tolerant Adsorbent for CO ₂ Franchi, Robert S.; Harlick, Peter J. E.; Sayari, Abdelhamid Industrial & Engineering Chemistry Research, Vol. 44, Issue 21 https://doi.org/10.1021/ie0504194	journal	October 2005
Applications of Pore-Expanded Mesoporous Silicas. 3. Triamine Silane Grafting for Enhanced CO ₂ Adsorption Harlick, Peter J. E.; Sayari, Abdelhamid Industrial & Engineering Chemistry Research, Vol. 45, Issue 9 https://doi.org/10.1021/ie051286p	journal	April 2006
Applications of Pore-Expanded Mesoporous Silica. 5. Triamine Grafted Material with Exceptional CO₂ Dynamic and Equilibrium Adsorption Performance Harlick, Peter J. E.; Sayari, Abdelhamid Industrial & Engineering Chemistry Research, Vol. 46, Issue 2 https://doi.org/10.1021/ie060774+	journal	December 2006
New Insights into the Interactions of CO ₂ with Amine-Functionalized Silica Serna-Guerrero, Rodrigo; Da’na, Enshirah; Sayari, Abdelhamid Industrial & Engineering Chemistry Research, Vol. 47, Issue 23 https://doi.org/10.1021/ie801186g	journal	December 2008
Kinetics of carbamate formation and breakdown Caplow, Michael. Journal of the American Chemical Society, Vol. 90, Issue 24 https://doi.org/10.1021/ja01026a041	journal	November 1968
Designing Adsorbents for CO ₂ Capture from Flue Gas-Hyperbranched Aminosilicas Capable of Capturing CO ₂ Reversibly Hicks, Jason C.; Drese, Jeffrey H.; Fauth, Daniel J. Journal of the American Chemical Society, Vol. 130, Issue 10 https://doi.org/10.1021/ja077795v	journal	March 2008
Capture of Carbon Dioxide from Air and Flue Gas in the Alkylamine-Appended Metal–Organic Framework mmen-Mg₂(dobpdc) McDonald, Thomas M.; Lee, Woo Ram; Mason, Jarad A. Journal of the American Chemical Society, Vol. 134, Issue 16, p. 7056-7065 https://doi.org/10.1021/ja300034j	journal	April 2012
CO ₂ -Induced Degradation of Amine-Containing Adsorbents: Reaction Products and Pathways Sayari, Abdelhamid; Heydari-Gorji, Aliakbar; Yang, Yong Journal of the American Chemical Society, Vol. 134, Issue 33 https://doi.org/10.1021/ja304888a	journal	August 2012
An Amine-Functionalized MIL-53 Metal−Organic Framework with Large Separation Power for CO ₂ and CH ₄ Couck, Sarah; Denayer, Joeri F. M.; Baron, Gino V. Journal of the American Chemical Society, Vol. 131, Issue 18 https://doi.org/10.1021/ja900555r	journal	May 2009
Understanding the Impacts of Support–Polymer Interactions on the Dynamics of Poly(ethyleneimine) Confined in Mesoporous SBA-15 Moon, Hyun June; Carrillo, Jan-Michael; Leisen, Johannes Journal of the American Chemical Society, Vol. 144, Issue 26 https://doi.org/10.1021/jacs.2c03028	journal	June 2022
Support Pore Structure and Composition Strongly Influence the Direct Air Capture of CO₂ on Supported Amines Rim, Guanhe; Priyadarshini, Pranjali; Song, MinGyu Journal of the American Chemical Society, Vol. 145, Issue 13 https://doi.org/10.1021/jacs.2c12707	journal	March 2023
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
Carbon Dioxide Capture from Air Using Amine-Grafted Porous Polymer Networks Lu, Weigang; Sculley, Julian P.; Yuan, Daqiang The Journal of Physical Chemistry C, Vol. 117, Issue 8 https://doi.org/10.1021/jp311512q	journal	February 2013
Polyethylenimine-Impregnated Mesoporous Silica: Effect of Amine Loading and Surface Alkyl Chains on CO ₂ Adsorption Heydari-Gorji, Aliakbar; Belmabkhout, Youssef; Sayari, Abdelhamid Langmuir, Vol. 27, Issue 20 https://doi.org/10.1021/la202972t	journal	October 2011
Epoxide-functionalization of polyethyleneimine for synthesis of stable carbon dioxide adsorbent in temperature swing adsorption Choi, Woosung; Min, Kyungmin; Kim, Chaehoon Nature Communications, Vol. 7, Issue 1 https://doi.org/10.1038/ncomms12640	journal	August 2016
Amine-oxide hybrid materials for acid gas separations Bollini, Praveen; Didas, Stephanie A.; Jones, Christopher W. Journal of Materials Chemistry, Vol. 21, Issue 39 https://doi.org/10.1039/c1jm12522b	journal	January 2011
Development of high efficiency adsorbents for CO2 capture based on a double-functionalization method of grafting and impregnation Sanz, Raúl; Calleja, Guillermo; Arencibia, Amaya Journal of Materials Chemistry A, Vol. 1, Issue 6 https://doi.org/10.1039/c2ta01343f	journal	January 2013
Polyethyleneimine and macrocyclic polyamine silica gels acting as carbon dioxide absorbents Tsuda, Tetsuo; Fujiwara, Tsuyoshi Journal of the Chemical Society, Chemical Communications, Issue 22 https://doi.org/10.1039/c39920001659	journal	January 1992
The high-flux backscattering spectrometer at the NIST Center for Neutron Research Meyer, A.; Dimeo, R. M.; Gehring, P. M. Review of Scientific Instruments, Vol. 74, Issue 5 https://doi.org/10.1063/1.1568557	journal	May 2003
A time-of-flight backscattering spectrometer at the Spallation Neutron Source, BASIS Mamontov, E.; Herwig, K. W. Review of Scientific Instruments, Vol. 82, Issue 8 https://doi.org/10.1063/1.3626214	journal	August 2011
Structure and dynamics of confined flexible and unentangled polymer melts in highly adsorbing cylindrical pores Carrillo, Jan-Michael Y.; Sumpter, Bobby G. The Journal of Chemical Physics, Vol. 141, Issue 7 https://doi.org/10.1063/1.4893055	journal	August 2014
Neutron scattering lengths and cross sections Sears, Varley F. Neutron News, Vol. 3, Issue 3 https://doi.org/10.1080/10448639208218770	journal	January 1992
The extended Q -range small-angle neutron scattering diffractometer at the SNS Zhao, J. K.; Gao, C. Y.; Liu, D. Journal of Applied Crystallography, Vol. 43, Issue 5 https://doi.org/10.1107/S002188981002217X	journal	July 2010
Branched versus Linear Structure: Lowering the CO2 Desorption Temperature of Polyethylenimine-Functionalized Silica Adsorbents Hack, Jannis; Frazzetto, Seraina; Evers, Leon Energies, Vol. 15, Issue 3 https://doi.org/10.3390/en15031075	journal	January 2022

Similar Records

Linking CO ₂ Sorption Performance to Polymer Morphology in Aminopolymer/Silica Composites through Neutron Scattering

Journal Article · Wed Sep 02 00:00:00 EDT 2015 · Journal of the American Chemical Society · OSTI ID:1213924

Probing the Morphology and Mobility of Amines in Porous Silica CO ₂ Sorbents by ¹ H T ₁ – T ₂ Relaxation Correlation NMR

Journal Article · Tue Jun 13 00:00:00 EDT 2023 · Journal of Physical Chemistry. C · OSTI ID:1984884

Distribution and Mobility of Amines Confined in Porous Silica Supports Assessed via Neutron Scattering, NMR, and MD Simulations: Impacts on CO 2 Sorption Kinetics and Capacities

Citation Formats

References (60)

Similar Records

Related Subjects

Distribution and Mobility of Amines Confined in Porous Silica Supports Assessed via Neutron Scattering, NMR, and MD Simulations: Impacts on CO ₂ Sorption Kinetics and Capacities