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‎examples/1D_MultiComponent_Diffusion/case.py‎

Lines changed: 61 additions & 67 deletions
Original file line numberDiff line numberDiff line change
@@ -1,5 +1,4 @@
1-
#!/usr/bin/env python3
2-
1+
#!/usr/bin/env python3
32
# References:
43
# + DOI: 10.2514/6.2020-1751: IV.B. Multi-component diffusion
54

@@ -9,82 +8,77 @@
98

109
import cantera as ct
1110

12-
parser = argparse.ArgumentParser(
13-
prog="1D_MultiComponent_Diffusion",
14-
formatter_class=argparse.ArgumentDefaultsHelpFormatter)
11+
parser = argparse.ArgumentParser(prog="1D_MultiComponent_Diffusion", formatter_class=argparse.ArgumentDefaultsHelpFormatter)
1512

16-
parser.add_argument("--mfc", type=json.loads, default='{}', metavar="DICT",
17-
help="MFC's toolchain's internal state.")
18-
parser.add_argument("--no-chem", dest='chemistry', default=True, action="store_false",
19-
help="Disable chemistry.")
13+
parser.add_argument("--mfc", type=json.loads, default="{}", metavar="DICT", help="MFC's toolchain's internal state.")
14+
parser.add_argument("--no-chem", dest="chemistry", default=True, action="store_false", help="Disable chemistry.")
2015

2116
args = parser.parse_args()
2217

23-
ctfile = 'grigri.yaml'
18+
ctfile = "grigri.yaml"
2419

25-
L = 0.05
26-
Nx = 100
27-
dx = L / Nx
28-
dt = 0.3e-6
20+
L = 0.05
21+
Nx = 100
22+
dx = L / Nx
23+
dt = 0.3e-6
2924
Tend = 0.05
3025

31-
NT = int(Tend / dt)
26+
NT = int(Tend / dt)
3227
SAVE_COUNT = 2000
33-
NS = 2000
28+
NS = 2000
3429
case = {
35-
'run_time_info' : 'T',
36-
'x_domain%beg' : 0,
37-
'x_domain%end' : +L,
38-
'm' : Nx,
39-
'n' : 0,
40-
'p' : 0,
41-
'dt' : float(dt),
42-
't_step_start' : 0,
43-
't_step_stop' : NT,
44-
't_step_save' : NS,
45-
't_step_print' : NS,
46-
'parallel_io' : 'F',
47-
'model_eqns' : 2,
48-
'num_fluids' : 1,
49-
'num_patches' : 1,
50-
'mpp_lim' : 'F',
51-
'mixture_err' : 'F',
52-
'time_stepper' : 3,
53-
'weno_order' : 5,
54-
'weno_eps' : 1E-16,
55-
'weno_avg' : 'F',
56-
'mapped_weno' : 'T',
57-
'mp_weno' : 'T',
58-
'riemann_solver' : 2,
59-
'wave_speeds' : 2,
60-
'avg_state' : 1,
61-
'bc_x%beg' :-1,
62-
'bc_x%end' :-1,
63-
'chemistry' : 'T' if not args.chemistry else 'T',
64-
'chem_params%diffusion' : 'T',
65-
'chem_params%reactions' : 'F',
66-
'format' : 1,
67-
'precision' : 2,
68-
'prim_vars_wrt' : 'T',
69-
'patch_icpp(1)%geometry' : 1,
70-
'patch_icpp(1)%x_centroid' : L/2,
71-
'patch_icpp(1)%length_x' : L,
72-
'patch_icpp(1)%vel(1)' : '0',
73-
'patch_icpp(1)%pres' : 1.01325e5,
74-
'patch_icpp(1)%alpha(1)' : 1,
75-
'patch_icpp(1)%Y(1)' : '(0.195-0.142)*(1-0.5*exp(-(x-0.05d0/2.0d0)**2/(2.5d0*10.0d0**(-3.0d0))**2))+0.142',
76-
'patch_icpp(1)%Y(2)' : '(0.0-0.1)*(1-0.5*exp(-(x-0.05d0/2.0d0)**2/(2.5d0*10.0d0**(-3.0d0))**2))+0.1',
77-
'patch_icpp(1)%Y(3)' : '(0.214-0.0)*(1-0.5*exp(-(x-0.05d0/2.0d0)**2/(2.5d0*10.0d0**(-3.0d0))**2))+0.0',
78-
'patch_icpp(1)%Y(4)' : '(0.591-0.758)*(1-0.5*exp(-(x-0.05d0/2.0d0)**2/(2.5d0*10.0d0**(-3.0d0))**2))+0.758',
79-
'patch_icpp(1)%alpha_rho(1)' : '1.01325d0*10.0d0**(5.0d0)/(((320.0d0-1350.0d0)*(1.0d0-0.50d0*exp(-(x-0.05d0/2.0d0)**2/(2.5d0*10.0d0**(-3.0d0))**2))+1350.0d0)*8.3144626d0*1000.0d0*( ((0.195d0-0.142d0)*(1.0d0-0.5d0*exp(-(x-0.05d0/2.0d0)**2/(2.5d0*10.0d0**(-3.0d0))**2))+0.142d0)/31.998d0 +((0.0-0.1)*(1-0.5*exp(-(x-0.05d0/2.0d0)**2/(2.5d0*10.0d0**(-3.0d0))**2))+0.1)/18.01508d0+ ((0.214-0.0)*(1-0.5*exp(-(x-0.05d0/2.0d0)**2/(2.5d0*10.0d0**(-3.0d0))**2))+0.0)/16.04256 + ((0.591-0.758)*(1-0.5*exp(-(x-0.05d0/2.0d0)**2/(2.5d0*10.0d0**(-3.0d0))**2))+0.758)/28.0134))',
80-
81-
'fluid_pp(1)%gamma' : 1.0E+00/(1.9326E+00-1.0E+00),
82-
'fluid_pp(1)%pi_inf' : 0,
83-
'cantera_file' : ctfile,
30+
"run_time_info": "T",
31+
"x_domain%beg": 0,
32+
"x_domain%end": +L,
33+
"m": Nx,
34+
"n": 0,
35+
"p": 0,
36+
"dt": float(dt),
37+
"t_step_start": 0,
38+
"t_step_stop": NT,
39+
"t_step_save": NS,
40+
"t_step_print": NS,
41+
"parallel_io": "F",
42+
"model_eqns": 2,
43+
"num_fluids": 1,
44+
"num_patches": 1,
45+
"mpp_lim": "F",
46+
"mixture_err": "F",
47+
"time_stepper": 3,
48+
"weno_order": 5,
49+
"weno_eps": 1e-16,
50+
"weno_avg": "F",
51+
"mapped_weno": "T",
52+
"mp_weno": "T",
53+
"riemann_solver": 2,
54+
"wave_speeds": 2,
55+
"avg_state": 1,
56+
"bc_x%beg": -1,
57+
"bc_x%end": -1,
58+
"chemistry": "T" if not args.chemistry else "T",
59+
"chem_params%diffusion": "T",
60+
"chem_params%reactions": "F",
61+
"format": 1,
62+
"precision": 2,
63+
"prim_vars_wrt": "T",
64+
"patch_icpp(1)%geometry": 1,
65+
"patch_icpp(1)%x_centroid": L / 2,
66+
"patch_icpp(1)%length_x": L,
67+
"patch_icpp(1)%vel(1)": "0",
68+
"patch_icpp(1)%pres": 1.01325e5,
69+
"patch_icpp(1)%alpha(1)": 1,
70+
"patch_icpp(1)%Y(1)": "(0.195-0.142)*(1-0.5*exp(-(x-0.05d0/2.0d0)**2/(2.5d0*10.0d0**(-3.0d0))**2))+0.142",
71+
"patch_icpp(1)%Y(2)": "(0.0-0.1)*(1-0.5*exp(-(x-0.05d0/2.0d0)**2/(2.5d0*10.0d0**(-3.0d0))**2))+0.1",
72+
"patch_icpp(1)%Y(3)": "(0.214-0.0)*(1-0.5*exp(-(x-0.05d0/2.0d0)**2/(2.5d0*10.0d0**(-3.0d0))**2))+0.0",
73+
"patch_icpp(1)%Y(4)": "(0.591-0.758)*(1-0.5*exp(-(x-0.05d0/2.0d0)**2/(2.5d0*10.0d0**(-3.0d0))**2))+0.758",
74+
"patch_icpp(1)%alpha_rho(1)": "1.01325d0*10.0d0**(5.0d0)/(((320.0d0-1350.0d0)*(1.0d0-0.50d0*exp(-(x-0.05d0/2.0d0)**2/(2.5d0*10.0d0**(-3.0d0))**2))+1350.0d0)*8.3144626d0*1000.0d0*( ((0.195d0-0.142d0)*(1.0d0-0.5d0*exp(-(x-0.05d0/2.0d0)**2/(2.5d0*10.0d0**(-3.0d0))**2))+0.142d0)/31.998d0 +((0.0-0.1)*(1-0.5*exp(-(x-0.05d0/2.0d0)**2/(2.5d0*10.0d0**(-3.0d0))**2))+0.1)/18.01508d0+ ((0.214-0.0)*(1-0.5*exp(-(x-0.05d0/2.0d0)**2/(2.5d0*10.0d0**(-3.0d0))**2))+0.0)/16.04256 + ((0.591-0.758)*(1-0.5*exp(-(x-0.05d0/2.0d0)**2/(2.5d0*10.0d0**(-3.0d0))**2))+0.758)/28.0134))",
75+
"fluid_pp(1)%gamma": 1.0e00 / (1.9326e00 - 1.0e00),
76+
"fluid_pp(1)%pi_inf": 0,
77+
"cantera_file": ctfile,
8478
}
8579

8680
if args.chemistry:
8781
for i in range(4):
88-
case[f'chem_wrt_Y({i + 1})'] = 'T'
89-
if __name__ == '__main__':
82+
case[f"chem_wrt_Y({i + 1})"] = "T"
83+
if __name__ == "__main__":
9084
print(json.dumps(case))

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