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INTERFACE, PHASE CHANGE AND MOLECULAR TRANSPORT IN SUB, TRANS AND SUPERCRITICAL REGIMES FOR N-ALKANE/NITROGEN MIXTURES

thesis
posted on 01.08.2022, 20:48 authored by Suman ChakrabortySuman Chakraborty

 Understanding the behavior of liquid hydrocarbon propellants under high pressure and temperature conditions is a crucial step towards improving the performance of modern-day combustion engines (liquid rocket engines, diesel engines, gas turbines and so on) and designing the next generation ones. Under such harsh thermodynamic conditions (high P&T) propellent droplets may experience anywhere from sub-to-trans-to-supercritical regime. The focus of this research is to explore the dynamics of the vapor-liquid two phase system formed by a liquid hydrocarbon fuel (n-heptane or n-dodecane) and ambient (nitrogen) over a wide range of P&T leading up to the mixture critical point and beyond. Molecular dynamics (MD) has been used as the primary tool in this research along with other tools like: phase stability calculations based on Gibb’s work, Peng Robinson equation of state, density gradient theory and neural networks.

History

Degree Type

Doctor of Philosophy

Department

Aeronautics and Astronautics

Campus location

West Lafayette

Advisor/Supervisor/Committee Chair

Li Qiao

Additional Committee Member 2

Jay P. Gore

Additional Committee Member 3

Haifeng Wang

Additional Committee Member 4

Timothee Pourpoint