Modeling and Simulation Tools for Predicting Hypergolicity in Energetic Ionic Liquids
Agency / Branch:
DOD / USAF
Molecular dynamics simulations using reactive (ReaxFF) and highly accurate non-reactive (APPLE&P) force fields will be utilized in molecular dynamics simulation study of mechnanisms and structure-property relations of hypergolicity in ionic liquids. Specific attention will be dedicated to establishing correlations between chemical and physical characteristics of ionic liquid/oxidizer mixtures. BENEFITS: This project will produce new technology and simulation methods/software that would allow to investigate and predict hypergolicity of mixture of where fuel component is ionic liquid. These tools will allow efficient design of novel hypergolic formulations with desired chemical and physical properties.
Small Business Information at Submission:
WASATCH MOLECULAR, INC.
2141 St. Mary''''s Dr. Suite 102 Salt Lake City, UT 84108
Number of Employees: