Model for gas-hydrate equilibrium in porous media that incorporates pore-wall properties
Literature Information
Yali Zhang
Naturally-occurring gas hydrates (in permafrost and marine sediments) have the potential to contribute as a carbon-based source to the increasing energy demand. Precise estimates of gas-hydrate global inventory, development of strategies for their exploitation, and evaluation of their environmental impact require models that accurately describe gas-hydrate stability in marine sediments. A model for gas-hydrate equilibrium in porous media, developed from fundamental thermodynamic principles, is proposed and validated against available experimental data. The derivation of the model allowed for the natural incorporation of sediment properties into equilibrium conditions, such as interfacial energies and contact angles between different phases. Model parameters were obtained from independent experiments and fundamental calculations reported in the literature. For the range of pore sizes (3.4–24.75 nm) of different materials reported in the literature, the absolute average deviations (AAD%) between the model predictions and the experimental data are between 0.04% and 2.07%. The wettability of the pore surface affects the shape of the hydrate phase inside the pore and consequently influences the equilibrium pressures of gas-hydrate formed in porous media.
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Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.











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