Researchers from Nextmol, in collaboration with the Centre for Research & Technology Hellas (CERTH), have published the paper “Enthalpy of dissociation of the mixed methane + propane sII hydrate along the three-phase equilibrium line” in the journal Molecular Physics.
The paper presents a detailed overview of the calculation of the enthalpy of dissociation of structure II pure propane or mixed methane + propane hydrates, focusing primarily on methods that are based on either the Clausius-Clapeyron equation or the direct calculation of the enthalpies of all the components that are involved in the hydrate dissociation reaction. Molecular dynamics simulations have been used extensively in order to calculate the enthalpies and molar volumes of water, methane, propane, and the sII mixed hydrate (with variant degree of occupancy) at pressure and temperature conditions along the three-phase (Hydrate–Liquid water–Vapor or Hydrate–Liquid water–Liquid hydrocarbon) equilibrium line.
Reference: Enthalpy of dissociation of the mixed methane + propane sII hydrate along the three-phase equilibrium line Stephan Mohr, Rémi Pétuya, and Ioannis N. Tsimpanogiannis Molecular Physics (2023); DOI: 10.1080/00268976.2023.2276904
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