Preprint Article Version 1 This version is not peer-reviewed

A Combined Experimental and Computational Study on the Effect of the Reactor Configuration and Operational Procedures on Formation, Growth and Dissociation of Carbon Dioxide Hydrate

Version 1 : Received: 9 September 2024 / Approved: 9 September 2024 / Online: 10 September 2024 (03:35:49 CEST)

How to cite: Tallarou, C.; Labropoulos, A.; Stavropoulos, S.; Pasadakis, N.; Stamatakis, E.; Bellas, S.; Gholami, R.; Yentekakis, I. A Combined Experimental and Computational Study on the Effect of the Reactor Configuration and Operational Procedures on Formation, Growth and Dissociation of Carbon Dioxide Hydrate. Preprints 2024, 2024090695. https://doi.org/10.20944/preprints202409.0695.v1 Tallarou, C.; Labropoulos, A.; Stavropoulos, S.; Pasadakis, N.; Stamatakis, E.; Bellas, S.; Gholami, R.; Yentekakis, I. A Combined Experimental and Computational Study on the Effect of the Reactor Configuration and Operational Procedures on Formation, Growth and Dissociation of Carbon Dioxide Hydrate. Preprints 2024, 2024090695. https://doi.org/10.20944/preprints202409.0695.v1

Abstract

Clathrate hydrate-based technologies have been considered as promising and sustainable alternatives for the effective management of the climate change risks related to emissions of carbon dioxide, produced by human activities. This work presents a combined experimental and computational investigation of the effects of the operational procedures and characteristics of the experimental configuration, on the phase diagrams of CO2-H2O systems and CO2 hydrates formation, growth and dissociation conditions. The operational modes involved (i) the incremental (step-wise) temperature cycling and (ii) the continuous temperature cycling processes, in the framework of an isochoric pressure search method. Also, two different high pressure PVT configurations were used, of which one encompassed a stirred tank reactor and the other incorporated an autoclave of constant volume with magnetic agitation. The experimental results implied a dependence of the subcooling, (P, T) conditions for hydrate formation and dissociation and thermal stability of the hydrate phase on the applied temperature cycling mode, and the technical features of the utilized PVT configuration. The experimental findings were complemented by a thermodynamic simulation model and other calculation approaches, with the aim to resolve the phase diagrams including the CO2 dissolution over the entire range of the applied (P, T) conditions.

Keywords

Sustainable decarbonization; CO2 hydrates; CO2-H2O phase diagrams; gas-liquid-hydrate phase equilibrium; induction period; hydrate dissociation; CO2 capture

Subject

Chemistry and Materials Science, Physical Chemistry

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