Ascending adiabatic flame temperature vs phi

[Salman Zarrini]

Hi Cantera users,

Using a custom mechanism which contains the NASA7-like polynomial coefficients for some compounds ( it doesn’t  include reactions) I am trying to calculate Adiabatic Flame temperature (T_aft) for some compounds as;

gas.TPX = Tinit, 1.0133e5, terms # the term represents the fuel and oxidizer …)

gas.equilibrate(“HP”)

gas.T

The T_aft for some components are fine, however for some others the T_aft keeps increasing by increasing the fuel equivalent ratio (\phi), similar to the attached figures in two cases.

The chemical potential vs temperature for the chemicals in the mechanism looks reasonable as the attached figure shows.

I tried different solvers and increased the number of steps and iterations in the equilibrium step, no success.

I wonder what I am doing wrong and how I can improve the procedure?

Thank you,

Salman

[John Leylegian]

Will you share what compounds you are working with? I've seen this before...