Carbon dioxide (CO2) capture coupled with storage or conversion is projected to play a key role in mitigating and even reversing carbon emissions [1,2]. Present-day carbon capture processes rely on thermochemical cycles where solvents/sorbents absorb and release CO2 at lower and higher temperatures, respectively [3]. While such systems are functional and available at the commercial scale, these embodiments are energetically intensive and typically rely on fossil fuel-derived heat for CO2 desorption, ultimately limiting effectiveness. Electrochemical approaches may enable lower energy CO2 separations, as electrode potential can be modulated to selectively activate sorbents rather than altering the temperature of the entire capture media as in thermally-driven methods. While there are several promising electrochemical approaches for CO2 separation [4,5], I will focus on systems that exploit soluble, redox active carriers with CO2 binding strengths that vary with changes in oxidation state. Within this nascent field, most research aims to develop stable carrier molecules and electrolyte formulations that enable high separation capacities and energetically-efficient operation. At this early stage of development, modeling frameworks hold value in describing important relationships between molecular property sets, system design, and operating conditions. Such knowledge may inform ongoing molecular design and device engineering campaigns, enabling estimation of carrier molecule effectiveness and device performance. Here, I will discuss thermodynamic and electrochemical modeling efforts to articulate the performance-determining relationships between system components, configurations, and operating envelopes [6]. I will then show how insights gained from modeling can focus experimental research on materials for electrochemical CO2 separations.

Modeling of electrochemical systems for carbon dioxide capture with soluble, redox-active carriers

Fall 2022 abstracts, posters, and presentations will launch in mid-September.

ACS Fall 2022

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.