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[Test/1D] change TestIonFlame to use IonGasTransport
This commit is contained in:
BangShiuh
Ray Speth
@@ -28,7 +28,7 @@ f.solve(loglevel=loglevel, auto=True)
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# stage two
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f.solve(loglevel=loglevel, stage=2, enable_energy=True)
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f.save('CH4_adiabatic.xml', 'mix', 'solution with mixture-averaged transport')
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f.save('CH4_adiabatic.xml', 'ion', 'solution with ionized gas transport')
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f.show_solution()
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print('mixture-averaged flamespeed = {0:7f} m/s'.format(f.u[0]))
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@@ -942,6 +942,7 @@ class TestIonFlame(utilities.CanteraTest):
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self.sim.set_refine_criteria(ratio=4, slope=0.8, curve=1.0)
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# Ionized species may require tighter absolute tolerances
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self.sim.flame.set_steady_tolerances(Y=(1e-4, 1e-12))
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self.sim.transport_model = 'Ion'
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# stage one
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self.sim.solve(loglevel=0, auto=True)
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@@ -950,4 +951,4 @@ class TestIonFlame(utilities.CanteraTest):
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self.sim.solve(loglevel=0, stage=2, enable_energy=True)
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# Regression test
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self.assertNear(max(self.sim.E), 114.4623, 1e-3)
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self.assertNear(max(self.sim.E), 133.4795, 1e-3)
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@@ -47,6 +47,19 @@ class TestTransport(utilities.CanteraTest):
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self.assertArrayNear(Dbin1, Dbin2)
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self.assertArrayNear(Dbin1, Dbin1.T)
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def test_ionGas(self):
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# IonGasTransport gives the same result for a mixture
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# without ionized species
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self.phase.transport_model = 'Ion'
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Dkm1 = self.phase.mix_diff_coeffs
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Dbin1 = self.phase.binary_diff_coeffs
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self.phase.transport_model = 'Mix'
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Dkm2 = self.phase.mix_diff_coeffs
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Dbin2 = self.phase.binary_diff_coeffs
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self.assertArrayNear(Dkm1, Dkm2)
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self.assertArrayNear(Dbin1, Dbin2)
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def test_multiComponent(self):
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with self.assertRaises(ct.CanteraError):
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self.phase.multi_diff_coeffs
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@@ -2,18 +2,151 @@ units(length='cm', time='s', quantity='mol', act_energy='cal/mol')
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ideal_gas(name='gas',
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elements='O H C N E',
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species=['''gri30: H2 H O O2 OH H2O HO2
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H2O2 C CH CH2 CH2(S) CH3 CH4
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CO CO2 HCO CH2O CH3O N2''',
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'HCO+ H3O+ E'],
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species=['''gri30: H O OH HO2 H2O2 C CH
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CH2 CH2(S) CH3 HCO CH2O CH3O''',
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'''H2 O2 H2O CH4 CO CO2 N2
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HCO+ H3O+ E'''],
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reactions=['gri30: all', 'all'],
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transport='Mix',
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transport='Ion',
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options=['skip_undeclared_species', 'skip_undeclared_third_bodies'],
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initial_state=state(temperature=300.0, pressure=OneAtm))
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#-------------------------------------------------------------------------------
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# Species data
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#-------------------------------------------------------------------------------
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species(name = "H2",
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atoms = " H:2 ",
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thermo = (
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NASA( [ 200.00, 1000.00], [ 2.344331120E+00, 7.980520750E-03,
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-1.947815100E-05, 2.015720940E-08, -7.376117610E-12,
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-9.179351730E+02, 6.830102380E-01] ),
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NASA( [ 1000.00, 3500.00], [ 3.337279200E+00, -4.940247310E-05,
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4.994567780E-07, -1.795663940E-10, 2.002553760E-14,
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-9.501589220E+02, -3.205023310E+00] )
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),
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transport = gas_transport(
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geom = "linear",
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diam = 2.92,
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well_depth = 38.00,
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polar = 0.455,
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rot_relax = 280.00),
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note = "TPIS78"
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)
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species(name = "O2",
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atoms = " O:2 ",
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thermo = (
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NASA( [ 200.00, 1000.00], [ 3.782456360E+00, -2.996734160E-03,
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9.847302010E-06, -9.681295090E-09, 3.243728370E-12,
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-1.063943560E+03, 3.657675730E+00] ),
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NASA( [ 1000.00, 3500.00], [ 3.282537840E+00, 1.483087540E-03,
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-7.579666690E-07, 2.094705550E-10, -2.167177940E-14,
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-1.088457720E+03, 5.453231290E+00] )
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),
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transport = gas_transport(
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geom = "linear",
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diam = 3.46,
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well_depth = 107.40,
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polar = 1.131,
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rot_relax = 3.80),
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note = "TPIS89"
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)
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species(name = "H2O",
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atoms = " H:2 O:1 ",
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thermo = (
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NASA( [ 200.00, 1000.00], [ 4.198640560E+00, -2.036434100E-03,
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6.520402110E-06, -5.487970620E-09, 1.771978170E-12,
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-3.029372670E+04, -8.490322080E-01] ),
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NASA( [ 1000.00, 3500.00], [ 3.033992490E+00, 2.176918040E-03,
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-1.640725180E-07, -9.704198700E-11, 1.682009920E-14,
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-3.000429710E+04, 4.966770100E+00] )
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),
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transport = gas_transport(
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geom = "nonlinear",
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diam = 2.60,
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well_depth = 572.40,
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dipole = 1.84,
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polar = 1.053,
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rot_relax = 4.00),
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note = "L 8/89"
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)
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species(name = "CH4",
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atoms = " C:1 H:4 ",
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thermo = (
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NASA( [ 200.00, 1000.00], [ 5.149876130E+00, -1.367097880E-02,
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4.918005990E-05, -4.847430260E-08, 1.666939560E-11,
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-1.024664760E+04, -4.641303760E+00] ),
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NASA( [ 1000.00, 3500.00], [ 7.485149500E-02, 1.339094670E-02,
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-5.732858090E-06, 1.222925350E-09, -1.018152300E-13,
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-9.468344590E+03, 1.843731800E+01] )
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),
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transport = gas_transport(
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geom = "nonlinear",
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diam = 3.75,
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well_depth = 141.40,
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polar = 2.60,
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rot_relax = 13.00),
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note = "L 8/88"
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)
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species(name = "CO",
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atoms = " C:1 O:1 ",
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thermo = (
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NASA( [ 200.00, 1000.00], [ 3.579533470E+00, -6.103536800E-04,
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1.016814330E-06, 9.070058840E-10, -9.044244990E-13,
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-1.434408600E+04, 3.508409280E+00] ),
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NASA( [ 1000.00, 3500.00], [ 2.715185610E+00, 2.062527430E-03,
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-9.988257710E-07, 2.300530080E-10, -2.036477160E-14,
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-1.415187240E+04, 7.818687720E+00] )
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),
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transport = gas_transport(
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geom = "linear",
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diam = 3.65,
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well_depth = 98.10,
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polar = 1.95,
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rot_relax = 1.80),
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note = "TPIS79"
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)
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species(name = "CO2",
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atoms = " C:1 O:2 ",
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thermo = (
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NASA( [ 200.00, 1000.00], [ 2.356773520E+00, 8.984596770E-03,
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-7.123562690E-06, 2.459190220E-09, -1.436995480E-13,
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-4.837196970E+04, 9.901052220E+00] ),
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NASA( [ 1000.00, 3500.00], [ 3.857460290E+00, 4.414370260E-03,
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-2.214814040E-06, 5.234901880E-10, -4.720841640E-14,
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-4.875916600E+04, 2.271638060E+00] )
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),
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transport = gas_transport(
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geom = "linear",
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diam = 3.76,
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well_depth = 244.00,
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polar = 2.65,
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rot_relax = 2.10),
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note = "L 7/88"
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)
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species(name = "N2",
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atoms = " N:2 ",
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thermo = (
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NASA( [ 300.00, 1000.00], [ 3.298677000E+00, 1.408240400E-03,
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-3.963222000E-06, 5.641515000E-09, -2.444854000E-12,
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-1.020899900E+03, 3.950372000E+00] ),
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NASA( [ 1000.00, 5000.00], [ 2.926640000E+00, 1.487976800E-03,
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-5.684760000E-07, 1.009703800E-10, -6.753351000E-15,
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-9.227977000E+02, 5.980528000E+00] )
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),
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transport = gas_transport(
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geom = "linear",
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diam = 3.62,
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well_depth = 97.53,
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polar = 1.76,
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rot_relax = 4.00),
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note = "121286"
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)
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species(name = 'HCO+',
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atoms = ' H:1 C:1 O:1 E:-1 ',
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