Clathrate hydrates are crystalline structures composed of small guest molecules trapped into cages formed by hydrogen-bonded water molecules. In hydrate nucleation, water and the guest molecules may stay in a metastable fluid mixture for a long period. Metastability is broken if the concentration of the guest is above certain limit. We perform molecular dynamics (MD) simulations of supersaturat...

Gas hydrates may play an important role in global climate change, carbon sequestration, energy production and seafloor stability. However, formation and dissociation pathways in geologically complex systems are poorly defined. We present a new approach to processing large amounts of data from a LUNA distributed sensing system (DSS) in the seafloor process simulator (SPS) at Oak Ridge National L...

The significance of clathrate hydrates lies in their ability to encapsulate a vast range of inert gases. Although the natural abundance of a few noble gases (Kr and Xe) is poor their hydrates are generally abundant. It has already been reported that HF doping enhances the stability of hydrogen hydrates and methane hydrates, which prompted us to perform a model study on helium, neon and argon hy...

Among alternatives to fossil fuels, H2 gas is considered to be one of the most promising energy resources owing to its advantages of being nonpolluting and abundant in nature. In particular, fuel cells are currently receiving much attention for utilization of H2 gas in the development of both stationary and mobile power generators. H2 gas, however, inevitably has some safety concerns owing to t...

To facilitate advances in application of technologies pertaining to gas hydrates, a freely available data resource containing experimentally derived information about those materials was developed. This work was performed by the Thermodynamic Research Center (TRC) paralleling a highly successful database of thermodynamic and transport properties of molecular pure compounds and their mixtures. P...

In this communication, a thermodynamic model is presented to predict the dissociation conditions of structure H (sH) clathrate hydrates with methane as help gas. This approach is an extension of the Klauda and Sandler fugacity model (2000) for prediction of phase boundaries of sI and sII clathrate hydrates. The phase behavior of the water and hydrocarbon system is modeled using the Peng-Robinso...