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Issue 33, 2019
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Stability and characterization of the structure II binary clathrate hydrate of the refrigerant trans-1,3,3,3-tetrafluoropropene + methane

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Abstract

We report the phase diagram and structure of the binary clathrate hydrate (abbreviated as hydrate) of methane + trans-1,3,3,3-tetrafluoropropene (HFO-1234ze(E)) guest molecules by phase equilibrium measurements, powder X-ray diffraction measurements, and molecular dynamics simulations. The four-phase (methane-rich gas + water + HFO-1234ze(E) liquid + solid clathrate hydrate) equilibrium data in the system were measured in the temperature range of 274.3 K to 280.2 K. At temperatures from 274.3 K to 276.6 K, the phase equilibrium pressures of the binary hydrate were lower, by a maximum of 0.27 MPa, than those in a pure methane structure I clathrate hydrate system three phase equilibrium line. This indicates that the hydrate formed from the binary mixture was different from a simple methane hydrate. Powder X-ray diffraction measurements were performed on the binary hydrate sample prepared at 274.3 K and pressures from 2.65 to 2.94 MPa. The X-ray diffraction measurements revealed that a structure II hydrate was formed in the system. This is somewhat surprising as the longest molecular dimension of HFO-1234ze(E) is similar to that of 2-methylbutane that forms a structure H hydrate. To clarify some of the aspects of the behavior of the binary hydrate, molecular dynamics simulations were performed. These calculations show that the HFO-1234ze(E) molecules do not form hydrogen bonds with the cage water molecules but are closely interacting with the cage water molecules via electrostatic and van der Waals interactions.

Graphical abstract: Stability and characterization of the structure II binary clathrate hydrate of the refrigerant trans-1,3,3,3-tetrafluoropropene + methane

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Publication details

The article was received on 20 May 2019, accepted on 25 Jul 2019 and first published on 26 Jul 2019


Article type: Paper
DOI: 10.1039/C9NJ02605C
New J. Chem., 2019,43, 13068-13074

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    Stability and characterization of the structure II binary clathrate hydrate of the refrigerant trans-1,3,3,3-tetrafluoropropene + methane

    K. Nemoto, T. Ikeda, H. Mori, S. Alavi, S. Takeya and R. Ohmura, New J. Chem., 2019, 43, 13068
    DOI: 10.1039/C9NJ02605C

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