Hydrate Phase Transition Kinetic Modeling for Nature and Industry–Where Are We and Where Do We Go?

Bjørn Kvamme and Matthew Clarke
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Bjørn Kvamme: Hyzen Energy, 26701 Quail Creek, Laguna Hills, CA 92656, USA
Matthew Clarke: Department of Chemical & Petroleum Engineering, University of Calgary, 2500 University Drive N.W., Calgary, AB T2N 1N4, Canada

Energies, 2021, vol. 14, issue 14, 1-47

Abstract: Hydrate problems in industry have historically motivated modeling of hydrates and hydrate phase transition dynamics, and much knowledge has been gained during the last fifty years of research. The interest in natural gas hydrate as energy source is increasing rapidly. Parallel to this, there is also a high focus on fluxes of methane from the oceans. A limited portion of the fluxes of methane comes directly from natural gas hydrates but a much larger portion of the fluxes involves hydrate mounds as a dynamic seal that slows down leakage fluxes. In this work we review some of the historical trends in kinetic modeling of hydrate formation and discussion. We also discuss a possible future development over to classical thermodynamics and residual thermodynamics as a platform for all phases, including water phases. This opens up for consistent thermodynamics in which Gibbs free energy for all phases are comparable in terms of stability, and also consistent calculation of enthalpies and entropies. Examples are used to demonstrate various stability limits and how various routes to hydrate formation lead to different hydrates. A reworked Classical Nucleation Theory (CNT) is utilized to illustrate that nucleation of hydrate is, as expected from physics, a nano-scale process in time and space. Induction times, or time for onset of massive growth, on the other hand, are frequently delayed by hydrate film transport barriers that slow down contact between gas and liquid water. It is actually demonstrated that the reworked CNT model is able to predict experimental induction times.

Keywords: kinetics; formation; dissociation; molecular dynamics simulation (search for similar items in EconPapers)
JEL-codes: Q Q0 Q4 Q40 Q41 Q42 Q43 Q47 Q48 Q49 (search for similar items in EconPapers)
Date: 2021
References: View references in EconPapers View complete reference list from CitEc
Citations: View citations in EconPapers (2)

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