Modeling of hydrate-based CO2 capture with nucleation stage and induction time prediction capability

Abstract

Gas hydrate technology is a promising approach for carbon capture. However, due to the multiphysics and multi-scale complexity of the process, this technology is not sufficiently understood for real-life scale applications. In particular, further fundamental studies of the hydrate formation mechanisms and rate are needed to achieve relevant insights into the process design and intensification. High-fidelity numerical models are crucial to capture and explain the dominant physicochemical mechanisms involved in the process. This paper presents a new variation of the shrinking core model (SCM) that can capture the practically observed features of the carbon dioxide (CO 2) hydration process, including the nucleation phase behavior and induction time, which have not been exploited previously. Accordingly, the most significant contribution of the current work to the literature is the proposal and demonstration of an efficient and rapid predictive tool for the CO 2 hydrate nucleation process. Moreover, a modelbased estimation of the induction time, as a critical parameter in CO 2 hydrate rate estimation and control, is presented. Additionally, the temperature history profile over the nucleation and growth phases is simulated and compared against experimental data from the literature. The proposed model offers an in-depth and rationale analysis tool compared to the primary forms of the SCM and other models in which the nucleation stage has been compromised for the sake of mathematical modeling and numerical solution simplicity. The proposed concept is generic enough to be used for CH 4 hydration process too.

HTR+: a novel algorithm for identifying type and polycrystal of gas hydrates

“…ural gas resource, natural gas hydrates play a crucial role in energy technology [8][9][10], environmental issues, and climate concerns [11][12][13][14][15]. Furthermore, Gas hydrates being associated with important fields such as greenhouse gas storage [16][17][18][19], energy gas storage [20], and antifreeze proteins [21][22][23]. Studies on the thermodynamic, kinetic, and mechanical stability of gas hydrates drawing attention from academia, industry, and government.…”

Iterative Cup Overlapping: An Efficient Identification Algorithm for Cage Structures of Amorphous Phase Hydrates

“…On the other hand, the blockage caused by hydrate formation is one major issue of pipeline flow assurance, posing a serious threat to the safety of oil and gas development . Furthermore, clathrate hydrates are also involved in a variety of scientific fields, such as carbon dioxide sequestration, − hydrogen and natural gas storage, , separation of gas mixtures, desalination of seawater, , and so forth. Although the equilibrium thermodynamic − and structural properties , of gas hydrates have been well-understood, the development of relevant scientific research and industrial applications still urgently require further breakthroughs in the mechanism of gas hydrate formation and dissociation.…”

CO2 hydrate formation kinetics based on a chemical affinity model in the presence of GO and SDS

“…Insights from the model were discussed and the optimum reactor conguration for SNG application was obtained. Dashti et al 31 presented a new variation of the shrinking core model (SCM) and a modelbased estimation of the induction time. The proposed concept is generic enough to be used for the CH 4 hydration process too.…”