Molecular-Level Overhaul of γ-Aminopropyl Aminosilicone/Triethylene Glycol Post-Combustion CO2-Capture Solvents

被引:24
作者
Cantu, David C. [1 ,5 ]
Malhotra, Deepika [2 ]
Nguyen, Manh-Thuong [1 ]
Koech, Phillip K. [2 ]
Zhang, Difan [1 ]
Glezakou, Vassiliki-Alexandra [1 ]
Rousseau, Roger [1 ]
Page, Jordan [2 ]
Zheng, Richard [2 ]
Perry, Robert J. [3 ]
Heldebrant, David J. [2 ,4 ]
机构
[1] Pacific Northwest Natl Lab, Phys Sci Div, Richland, WA 99352 USA
[2] Pacific Northwest Natl Lab, Energy Proc & Mat Div, Richland, WA 99352 USA
[3] GE Global Res, 1 Res Circle, Niskayuna, NY 12309 USA
[4] Washington State Univ, Dept Chem Engn, Pullman, WA 99164 USA
[5] Univ Nevada, Chem & Mat Engn Dept, Reno, NV 89557 USA
关键词
amines; CO2; capture; gas purification; molecular dynamics; solvents; CO2; CAPTURE; ORGANIC LIQUIDS; IONIC LIQUIDS; FORCE-FIELD; ABSORPTION; DESIGN;
D O I
10.1002/cssc.202000724
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
Capturing carbon dioxide from post-combustion gas streams is an energy-intensive process that is required prior to either converting or sequestering CO2. Although a few commercial 1st and 2nd generation aqueous amine technologies have been proposed, the cost of capturing CO2 with these technologies remains high. One approach to decrease costs of capture has been the development of water-lean solvents that aim to increase efficiency by reducing the water content in solution. Water-lean solvents, such as gamma-aminopropyl aminosilicone/triethylene glycol (GAP/TEG), are promising technologies, with the potential to halve the parasitic load to a coal-fired power plant, albeit only if high solution viscosities and hydrolysis of the siloxane moieties can be mitigated. This study concerns an integrated multidisciplinary approach to overhaul the GAP/TEG solvent system at the molecular level to mitigate hydrolysis while also reducing viscosity. Cosolvents and diluents are found to have negligible effects on viscosity and are not needed. This finding allows for the design of single-component siloxane-free diamine derivatives with site-specific incorporation of selective chemical moieties for direct placement and orientation of hydrogen bonding to reduce viscosity. Ultimately, these new formulations are less susceptible to hydrolysis and exhibit up to a 98 % reduction in viscosity compared to the initial GAP/TEG formulation.
引用
收藏
页码:3429 / 3438
页数:10
相关论文
共 38 条
  • [1] Gromacs: High performance molecular simulations through multi-level parallelism from laptops to supercomputers
    Abraham, Mark James
    Murtola, Teemu
    Schulz, Roland
    Páll, Szilárd
    Smith, Jeremy C.
    Hess, Berk
    Lindah, Erik
    [J]. SoftwareX, 2015, 1-2 : 19 - 25
  • [2] Bloino J., [No title captured], Patent No. 0902
  • [3] Bottoms R R, 1930, U. S. Patent, Patent No. [1,783,901A, 1783901]
  • [4] Structure-property reduced order model for viscosity prediction in single-component CO2-binding organic liquids
    Cantu, David C.
    Malhotra, Deepika
    Koech, Phillip K.
    Heldebrant, David J.
    Zheng, Feng
    Freeman, Charles J.
    Rousseau, Roger
    Glezakou, Vassiliki-Alexandra
    [J]. GREEN CHEMISTRY, 2016, 18 (22) : 6004 - 6011
  • [5] Dynamic Acid/Base Equilibrium in Single Component Switchable Ionic Liquids and Consequences on Viscosity
    Cantu, David C.
    Lee, Juntaek
    Lee, Mal-Soon
    Heldebrant, David J.
    Koech, Phillip K.
    Freeman, Charles J.
    Rousseau, Roger
    Glezakou, Vassiliki-Alexandra
    [J]. JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2016, 7 (09): : 1646 - 1652
  • [6] FIRAHA DS, 2015, ANGEW CHEM, V127, P7916, DOI DOI 10.1002/ANGE.201502296
  • [7] Tuning the Carbon Dioxide Absorption in Amino Acid Ionic Liquids
    Firaha, Dzmitry S.
    Kirchner, Barbara
    [J]. CHEMSUSCHEM, 2016, 9 (13) : 1591 - 1599
  • [8] Computer-Aided Design of Ionic Liquids as CO2 Absorbents
    Firaha, Dzmitry S.
    Holloczki, Oldamur
    Kirchner, Barbara
    [J]. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2015, 54 (27) : 7805 - 7809
  • [9] Heldebrant D. J., 2014, ENERGY PROCEDIA, V63, P8144, DOI DOI 10.1016/J.EGYPR0.2015.12.336
  • [10] Water-Lean Solvents for Post-Combustion CO2 Capture: Fundamentals, Uncertainties, Opportunities, and Outlook
    Heldebrant, David J.
    Koech, Phillip K.
    Glezakou, Vassiliki-Alexandra
    Rousseau, Roger
    Malhotra, Deepika
    Cantu, David C.
    [J]. CHEMICAL REVIEWS, 2017, 117 (14) : 9594 - 9624