Simulator details, demo video and interesting results
Simulation Program Details
Project Motivation
- Develope a comprehensive and an optimized 2-D gas simulation program involving fluid dynamics and chemical reactivity simulation capabilities
- Provide a user-friendly testbed to easily experiment with different scenarios
- Independently tackle a particle dynamics problem from first principles by using the knowledge of basic collision physics, vector algebra and MATLAB scripting
- Validate various laws and theoretical results of physics such as ideal gas law and Boltzmann speed distribution using fundamental collision dynamics of gas particles
Key features of the simulation program
- Accurate elastic collision physics simulation of inter-particle and particle-wall collisions
- Capable of simulating the effects of gravity, heat transfer and inter/intra-species associative chemical reactions for an isolated gas system
- Hash grid optimization implementation for reduced number of collision checks and low simulation times
- Region probing capability together with a wide range of post-processed output for better analysis and validation of results
- Intuitive and user-friendly graphical input for specifying the location of initial particle region and walls
- Animation video and plot image saving features
Performance comparison of hash grid based and brute force collision checking algorithms
- These simulations are done considering a particle diameter of 2 Angstrom in a 120x120 Angstrom box with an initial speed of 0.5 Angstrom/fs. Total time taken is 1000 fs with a timestep of 1 fs.
- Consider an uncertainity of +/- 1 sec. in the simulation time observation values
Future planned updates
- Add inter-particle interation via Lennard-Jones potential to simulate real gas
- Extend the dimensions from 2-D to 3-D
- Translate MATLAB code to GNU Octave equivalent code for open and easy access to all
- Add progress bar and animation video re-play features in the GUI
Click here to see project notes
Simulator MATLAB app demonstration
Particle-in-box gas dynamics
Gas flow dynamics
Interesting Results
Free expansion of an ideal gas in a vacuum chamber
Free expansion of an ideal gas through a hole
Chemical reaction of nascent oxygen atoms at 298 K
Brownian motion of a particle suspended in gas
Bluff body flow of an ideal gas