Project Description
Dr. Tan will handle the calculations using CRYOCHEM to model Titan’s on-surface and subsurface hydrocarbon liquids, as well as their phase equilibria involving solids and vapor phases. These calculations include the solid-liquid-vapor phase equilibria, the liquid-density profile with depth, and the aqueous and non-aqueous solubility of hydrocarbons.
Activities:
1. Liquid-density profile will be calculated in the project by considering the hydrostatic pressure and the possibility of molecular exchange with subsurface solids and/or vapor phases. Possibility of liquid-liquid equilibrium will also be considered.
2. The performance of essential species that are already in CRYOCHEM database will be evaluated up to high pressures in the project, and reparameterization will be carried out if necessary to extend to higher pressure range for subsurface applications. Minor hydrocarbons (e.g. butadiene) and nitriles (e.g. acetonitrile) that exist on Titan will be added to the chemistry database.
3. Aqueous and non-aqueous solubility of hydrocarbons will be calculated in the project after improving the interaction parameters between water or other solvents (e.g., ammonia) and hydrocarbon species by taking advantage of new experimental data from an investigation in the project. This effort may need to describe supercooled water.
4. CRYOCHEM will be extended to include hydrate phases of both pure gases and their mixtures.
