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Comparing the Reactivity of Capture ...

Kowalski, Robert Michael,

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Comparing the Reactivity of Capture Agents and Proton Source for Captured Carbon Dioxide Reduction Reaction. A Theoretical Assessment /

Record Type:	Electronic resources : Monograph/item
Title/Author:	Comparing the Reactivity of Capture Agents and Proton Source for Captured Carbon Dioxide Reduction Reaction. A Theoretical Assessment // Robert Michael Kowalski.
Author:	Kowalski, Robert Michael,
Description:	1 electronic resource (93 pages)
Notes:	Source: Masters Abstracts International, Volume: 85-10.
Contained By:	Masters Abstracts International85-10.
Subject:	Chemical engineering. -
Online resource:	https://pqdd.sinica.edu.tw/twdaoapp/servlet/advanced?query=31147421
ISBN:	9798382241661

Comparing the Reactivity of Capture Agents and Proton Source for Captured Carbon Dioxide Reduction Reaction. A Theoretical Assessment /
Kowalski, Robert Michael,

Comparing the Reactivity of Capture Agents and Proton Source for Captured Carbon Dioxide Reduction Reaction. A Theoretical Assessment /Robert Michael Kowalski. - 1 electronic resource (93 pages)

Source: Masters Abstracts International, Volume: 85-10.

Since the industrial revolution, the concentration of atmospheric CO2 has drastically risen. Currently, the CO2 reduction reaction (CO2RR) has been extensively studied to convert CO2 into higher values products like CO, formic acid, methane, etc. Industrially, the first step of the CO2RR is to capture the CO2 using some capture agent, typically an amine. However, as these chemicals bind CO2 quite strongly a large amount of thermal energy is required to liberate the CO2. Thus, it has been proposed to directly reduce the capture agent in the general captured CO2 reduction reaction (c-CO2RR). This work is a prospective on Ag that considers different capture agents, proton source effects, and facets. We show that the proton source chosen has a large effect on the reactivity, we show that methanol is predicted to be a competitive capture agent compared to NH3, and we show that steps and kinks sites hinder or do not improve the c-CO2RR. However, overall, we determine that on Ag the HER dominates and therefore, further catalyst development is necessary.

English

ISBN: 9798382241661Subjects--Topical Terms:

560457
Chemical engineering.
Subjects--Index Terms:

CO2 conversion

Comparing the Reactivity of Capture Agents and Proton Source for Captured Carbon Dioxide Reduction Reaction. A Theoretical Assessment /
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245 1 0 $a Comparing the Reactivity of Capture Agents and Proton Source for Captured Carbon Dioxide Reduction Reaction. A Theoretical Assessment / $c Robert Michael Kowalski.
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500 $a Source: Masters Abstracts International, Volume: 85-10.
500 $a Advisors: Sautet, Philippe Committee members: Morales Guio, Carlos G.; Li, Yuzhang.
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520 $a Since the industrial revolution, the concentration of atmospheric CO2 has drastically risen. Currently, the CO2 reduction reaction (CO2RR) has been extensively studied to convert CO2 into higher values products like CO, formic acid, methane, etc. Industrially, the first step of the CO2RR is to capture the CO2 using some capture agent, typically an amine. However, as these chemicals bind CO2 quite strongly a large amount of thermal energy is required to liberate the CO2. Thus, it has been proposed to directly reduce the capture agent in the general captured CO2 reduction reaction (c-CO2RR). This work is a prospective on Ag that considers different capture agents, proton source effects, and facets. We show that the proton source chosen has a large effect on the reactivity, we show that methanol is predicted to be a competitive capture agent compared to NH3, and we show that steps and kinks sites hinder or do not improve the c-CO2RR. However, overall, we determine that on Ag the HER dominates and therefore, further catalyst development is necessary.
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650 4 $a Chemical engineering. $3 560457
650 4 $a Physical chemistry. $3 1981412
650 4 $a Environmental engineering. $3 548583
653 $a CO2 conversion
653 $a Electrocatalysis
653 $a Industrial revolution
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