Determination of Kinetic and Diffusion Parameters Needed to Predict the Behavior of CaO-Based CO₂ Sorbent and Sorbent-Catalyst Materials

Abstract

For about 10 years, this research group has developed and utilized a particle grain model (PGM), to simulate CO 2 -capture carried out by CaO-based porous particles. Chemical kinetics and diffusion parameters were either taken from literature studies or fixed by fitting experimental sorption data. As recently observed, this procedure was not fully satisfactory and revealed systematic, minor discrepancies between PGM numerical results and experimental data when predicting sorbents behavior during the initial chemically controlled regime of carbonation. This work deals with the experimental determination of kinetic and diffusion parameters, utilized in the PGM, by means of straightforward thermogravimetric analysis (TGA) tests on small samples of materials to be evaluated for CO 2 sorption and sorption-enhanced processes. To validate this procedure, the carbonation of two Ni−CaO−mayenite combined sorbent-catalyst materials (CSCMs) was studied in TGA. The experimental data so obtained were used to infer carbonation kinetic parameters tailored for each CSCM, which resulted to be compatible with investigated phenomena and previously proposed values, and allowed faithful PGM predictions at different operating temperatures. These parameters were then implemented in an axial dispersion plug flow reactor model for sorption enhanced steam methane reforming (SESMR): its predictions resulted in good agreement with experimental data from SESMR tests performed in packed beds.

CO2 Capture and Utilization Editorial

“…A scenario analysis of CCUS supply chains was specifically performed for Italy and Germany. 41 They minimized an objective function that consisted of remission of an element of carbon tax, economic incentives, and revenues subtracted from total supply chain costs, to determine optimal designs for CCUS systems. Currently, main CO 2 utilization research areas include (1) thermochemical conversion and hydrogenation routes, (2) electrochemical and photochemical conversion, (3) CO 2 conversion to solid carbonates, (4) biological conversion routes, and (5) enhanced hydrocarbon recovery with carbon storage.…”

“…A clear winner was not identified and all routes proved to be feasible and had different pros and cons, with key hurdles being identified for each route. A scenario analysis of CCUS supply chains was specifically performed for Italy and Germany . They minimized an objective function that consisted of remission of an element of carbon tax, economic incentives, and revenues subtracted from total supply chain costs, to determine optimal designs for CCUS systems.…”

Sorption enhanced steam methane reforming by Ni/CaO/mayenite combined systems: Overview of experimental results from European research project ASCENT

“…That wide research effort has resulted in many publications since 2016. [15][16][17]37,56,[58][59][60][61][62][63][64][65] Each one is focused on a specific task or issue. Therefore, each individual work does not provide a full representation of the research that began with the ASCENT project.…”

Prediction of Combined Sorbent and Catalyst Materials for SE-SMR, Using QSPR and Multitask Learning

“…There have been different approaches taken to develop and predict the behavior of optimal properties for a suitable CSCM, such as the determination of kinetic and diffusion parameters and computational modeling, − as well as material synthesis and experimental studies in a fluidized bed reactor or fixed bed reactors. − The application of CSCM also is not limited to the process of SE-SMR with methane as a carbon source, as there are many studies conducted on CSCM applied in sorption enhanced steam reforming using other raw materials such as glycerol, , phenol, coal, biomass, ethanol, methanol …”