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Title: Reinventing Design Principles for Developing Low-Viscosity Carbon Dioxide-Binding Organic Liquids for Flue Gas Clean Up

Abstract

Anthropogenic carbon dioxide (CO 2) emission from point sources, such as coal fired-power plants, account for the majority of the green houses gasses in the atmosphere. Capture, storage and utilization are required to mitigate adverse environmental effects. Aqueous amine-based CO 2 capture solvents are currently considered the industry standard, but deployment to market is limited by their high regeneration energy demand. In that context, energy efficient and less-viscous water-lean transformational solvent systems known as CO 2 Binding Organic Liquids (CO 2BOLs) are being developed in our group to advance this technology to commercialization. Herein, we present a logical design approach based on fundamental concepts of organic chemistry and computer simulations aimed at lowering solvent viscosity. Conceptually, viscosity reduction would be achieved by systemmatic methods such as introduction of steric hindrance on the anion to minimize the intermolecular cation-anion interactions, fine tuning the electronics, hydrogen bonding orientation and strength, and charge solvation. Conventional standard trial-and-error approaches while effective, are time consuming and economically expensive. Herein, we rethink the metrics and design principles of low-viscosity CO 2 capture solvents using a combined synthesis and computational modeling approach. We critically study the impacts of modyfying factors such as as orientation of hydrogen bonding,more » introduction of higher degrees of freedom and cation or anion charge solvation and assess if or how each factor impacts viscosity of CO 2BOL CO 2 capture solvents. Ultimately, we found that hydrogen bond orientation and strength is predominantly influencing the viscosity in CO 2BOL solvents. With this knowledge, a new 1-MEIPADM-2-BOL CO 2BOL variant was synthesized and tested, resulting in a solvent that is approximately 60% less viscous at 25 mol% CO 2 loading with respect to our base compound 1-IPADM-2-BOL. The insights gained from the current study redefines the fundamental concepts and understanding of what influences viscosity in concentrated organic CO 2 capture solvents.« less

Authors:
Publication Date:
Research Org.:
Pacific Northwest National Lab. (PNNL), Richland, WA (United States)
Sponsoring Org.:
USDOE
OSTI Identifier:
1344632
Report Number(s):
PNNL-SA-121959
Journal ID: ISSN 1864-5631; AA6510000
DOE Contract Number:  
AC05-76RL01830
Resource Type:
Journal Article
Resource Relation:
Journal Name: ChemSusChem; Journal Volume: 10; Journal Issue: 3
Country of Publication:
United States
Language:
English
Subject:
54 ENVIRONMENTAL SCIENCES

Citation Formats

None, None. Reinventing Design Principles for Developing Low-Viscosity Carbon Dioxide-Binding Organic Liquids for Flue Gas Clean Up. United States: N. p., 2017. Web. doi:10.1002/cssc.201601622.
None, None. Reinventing Design Principles for Developing Low-Viscosity Carbon Dioxide-Binding Organic Liquids for Flue Gas Clean Up. United States. doi:10.1002/cssc.201601622.
None, None. Wed . "Reinventing Design Principles for Developing Low-Viscosity Carbon Dioxide-Binding Organic Liquids for Flue Gas Clean Up". United States. doi:10.1002/cssc.201601622.
@article{osti_1344632,
title = {Reinventing Design Principles for Developing Low-Viscosity Carbon Dioxide-Binding Organic Liquids for Flue Gas Clean Up},
author = {None, None},
abstractNote = {Anthropogenic carbon dioxide (CO2) emission from point sources, such as coal fired-power plants, account for the majority of the green houses gasses in the atmosphere. Capture, storage and utilization are required to mitigate adverse environmental effects. Aqueous amine-based CO2 capture solvents are currently considered the industry standard, but deployment to market is limited by their high regeneration energy demand. In that context, energy efficient and less-viscous water-lean transformational solvent systems known as CO2 Binding Organic Liquids (CO2BOLs) are being developed in our group to advance this technology to commercialization. Herein, we present a logical design approach based on fundamental concepts of organic chemistry and computer simulations aimed at lowering solvent viscosity. Conceptually, viscosity reduction would be achieved by systemmatic methods such as introduction of steric hindrance on the anion to minimize the intermolecular cation-anion interactions, fine tuning the electronics, hydrogen bonding orientation and strength, and charge solvation. Conventional standard trial-and-error approaches while effective, are time consuming and economically expensive. Herein, we rethink the metrics and design principles of low-viscosity CO2 capture solvents using a combined synthesis and computational modeling approach. We critically study the impacts of modyfying factors such as as orientation of hydrogen bonding, introduction of higher degrees of freedom and cation or anion charge solvation and assess if or how each factor impacts viscosity of CO2BOL CO2 capture solvents. Ultimately, we found that hydrogen bond orientation and strength is predominantly influencing the viscosity in CO2BOL solvents. With this knowledge, a new 1-MEIPADM-2-BOL CO2BOL variant was synthesized and tested, resulting in a solvent that is approximately 60% less viscous at 25 mol% CO2 loading with respect to our base compound 1-IPADM-2-BOL. The insights gained from the current study redefines the fundamental concepts and understanding of what influences viscosity in concentrated organic CO2 capture solvents.},
doi = {10.1002/cssc.201601622},
journal = {ChemSusChem},
number = 3,
volume = 10,
place = {United States},
year = {Wed Jan 11 00:00:00 EST 2017},
month = {Wed Jan 11 00:00:00 EST 2017}
}