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Study of Phase Equilibria and Interfacial Properties of Systems Containing Clathrate Hydrates Using Molecular Simulations
Gas hydrates, also known as clathrate hydrates are nonstoichiometric and crystalline
solids composed of water and gas molecules. If the gas molecules are
natural gas components, such as methane, ethane, propane, etc., ...
Pore Forming Toxins : Unravelling Oligomerization Pathways and Related Kinetics
Pore forming toxins are a class of proteins secreted from a wide variety of pathogens. These toxins are implicated in several diseases such as cholera, anthrax, tuberculosis and food poisoning. The toxin proteins are ...
Non-catalytic Synthesis of Biolubricant Esters and their Solubilities in Supercritical Fluids
Breakdown products released due to increased loss of mineral oil based lubricants to the environment lead to aquatic toxicity and release of harmful volatile compounds into the atmosphere. The production of these conventional ...
Molecular Simulation Studies of Competing Pathways in Crystal Nucleation
Microscopic nature of nuclei and extremely fast nucleation events makes it difficult to study nucleation experimentally. Route to nucleation can be effected by different parameters such as thermodynamic conditions, uid ...
Synthesis of Thermally Stable Catalysts for Methane Reforming and CO Abatement
The global energy consumption is estimated to reach around 262×1012 kWh/year by 2050 for 9 billion people. It is a challenge to meet global energy requirement via clean fuel (hydrogen) and by reducing/utilizing the CO2 ...
Improved Theory of Clathrate Hydrates
(2018-07-30)
The current theoretical understanding of thermodynamics of clathrate hydrates is based on the van der Waals and Plattew (vdWP) theory developed using statistical thermodynamics approach. vdWP theory has been widely used ...

