Generate Flux Diagram

Generate a Flux Diagram either by simulating the conditions of an RMG job with the optional customized set of concentration profiles from a Chemkin job.

You will require at least 3 files to generate a video. For a RMG-Py job, you will require the input.py file, chem.inp chemkin mechanism, and species_dictionary.txt dictionary file. Similarly, for a RMG-Java job, you will require the condition.txt file, chem.inp file, and RMG_dictionary.txt file. The server will then simulate the isothermal conditions for each reaction system specified in your condition or input file and draw flux diagrams for each iteration, then piece them together into a video .avi file.

In order to generate a flux diagram video for a non-isothermal simulation, simply upload the .out file associated with a chemkin simulation output for a shock tube or RCM, etc. Use the .out file containing species concentrations.

RMG Input File:

Chemkin File:

RMG Dictionary:

Chemkin Output File (Optional):

From RMG-Java:

Advanced Options

Maximum Nodes:
The maximum number of species desired in the flux diagram

Maximum Edges:
The maximum number of connections desired.

Multiplicative Time Step Factor:

Concentration Tolerance:
The lowest fractional concentration of any species to show (species which never reach concentrations above this will not appear in the flux diagram.) The fractional concentration = concentration / maximum concentration of any species throughout simulation.

Species Rate Tolerance:
The lowest fractional species rate to show (species which have rates of production below this value will not have flux arrows drawn.) The fractional species rate = rate of production/ maximum rate of production any species throughout simulation.