Physical and molecular insights to Clathrate hydrate thermodynamics

• Published in: Renewable & sustainable energy reviews 2021-01, Vol.135, p.110150, Article 110150
• Main Authors: Thakre, Niraj, Jana, Amiya K.
• Format: Article
• Language: English
• Subjects: ab initio; Clathrate hydrate; Intermolecular potential; Lattice distortion; Phase equilibrium
• ISSN: 1364-0321; 1879-0690
• DOI: 10.1016/j.rser.2020.110150

Clathrate hydrate forms by a combination of water and gas/liquid organic molecules in favorable conditions of relatively low temperature and high pressure. The compound gained attention as a potential energy source in the form of natural gas hydrate and have potential applications in gas storage/separation and desalination techniques. These implications require a variety of hydrate formers having different size and polarity that is responsible for their hydrate phase behavior. The phase boundary predictions and molecular simulations are reviewed in this article for the development of a robust and versatile thermodynamic approach. The nonideal fluid phases in equilibrium with the hydrate phase are described by the activity coefficient and equation of state-based methods. Exploring the effects of inhibitors, porous media and saline environment on the hydrate formation for energy production and their applications in gas storage, separation and seawater desalination, we report the prospects and challenges of the existing technologies in field scale. [Display omitted] •Hydrate phase equilibrium and its prediction approaches are reviewed.•Lattice distortion, stability and multiple occupancy models are explained.•Inhibitors and promotors are discussed with hydrate based applications.•Future directions are provided to improve accuracy of thermodynamic models.