December 19, 2022 at 5:17 pm
Ansys Employee
Hi Biborka:
A lot of the errors are correct for the defiiencies in the mechanism. The LH format has specific requirements. For instance, for a reaction with 3rd bodies, the reaction must be of the form:
A+B+M=>AB
where M is a wildcard that represents the 3rd body.
M is an unspecified collision partner that carries away excess energy to stabilize the AB molecule (forward direction) or supplies energy to break the AB bond (reverse direction).
The format required by LH is documented in the Chemkin Help Documentation -Chemkin Input Manual, which has a section for Gas Phase Chemistry.
I hope this helps.