diff --git a/interfaces/cython/cantera/test/test_transport.py b/interfaces/cython/cantera/test/test_transport.py index 73614ce43f..98cc6a2943 100644 --- a/interfaces/cython/cantera/test/test_transport.py +++ b/interfaces/cython/cantera/test/test_transport.py @@ -161,6 +161,12 @@ def test_mixture_diffusion(self): # Regression test self.assertNear(mdiff, 5.057e-4, 1e-4) + def test_O2_anion_mixture_diffusion(self): + j = self.gas.species_index("O2-") + mdiff = self.gas.mix_diff_coeffs[j] + # Regression test + self.assertNear(mdiff, 2.784e-4, 1e-3) + class TestTransportGeometryFlags(utilities.CanteraTest): phase_data = """ diff --git a/test/data/ch4_ion.cti b/test/data/ch4_ion.cti index 76368deb2b..002ef7ffbb 100644 --- a/test/data/ch4_ion.cti +++ b/test/data/ch4_ion.cti @@ -5,7 +5,7 @@ ideal_gas(name='gas', species=['''gri30: H O OH HO2 H2O2 C CH CH2 CH2(S) CH3 HCO CH2O CH3O''', '''H2 O2 H2O CH4 CO CO2 N2 - HCO+ H3O+ E'''], + HCO+ H3O+ E O2-'''], reactions=['gri30: all', 'all'], transport='Ion', options=['skip_undeclared_species', 'skip_undeclared_third_bodies'], @@ -186,6 +186,22 @@ species(name = 'H3O+', rot_relax=0.0), note = 'TPIS89') +species(name='O2-', + atoms='E:1 O:2', + thermo=(NASA([298.15, 1000.00], + [ 3.66442522E+00, -9.28741138E-04, 6.45477082E-06, + -7.74703380E-09, 2.93332662E-12, -6.87076983E+03, + 4.35140681E+00]), + NASA([1000.00, 6000.00], + [ 3.95666294E+00, 5.98141823E-04, -2.12133905E-07, + 3.63267581E-11, -2.24989228E-15, -7.06287229E+03, + 2.27871017E+00])), + transport=gas_transport(geom='linear', + diam=3.33, + well_depth=136.5, + polar=1.424), + note='L4/89') + species(name = 'E', atoms = ' E:1 ', thermo = (