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Adjust plotting in surface PFR example

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Ray Speth 2018-09-07 22:43:31 -04:00
parent 1d65a5ff84
commit 5d1d9f4918
1 changed files with 69 additions and 79 deletions
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148
reactors/1D_pfr_surfchem.ipynb
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@ -36,8 +36,6 @@
"import cantera as ct\n",
"import matplotlib.pyplot as plt\n",
"%matplotlib inline\n",
"from prettyplotlib import brewer2mpl\n",
"colors = brewer2mpl.get_map('Set2','qualitative',8).mpl_colors\n",
"print('Runnning Cantera version: ' + ct.__version__)"
]
},
@ -364,7 +362,8 @@
" old_api=False # Forces use of new api (namedtuple)\n",
")\n",
"\n",
"solution = solver.solve(np.arange(0,0.7,0.1), vec0,vecp0)"
"times = np.arange(0,0.7,0.01)\n",
"solution = solver.solve(times, vec0, vecp0)"
]
},
{
@ -393,23 +392,17 @@
}
],
"source": [
"plt.rcParams['axes.labelsize'] = 18\n",
"plt.rcParams['xtick.labelsize'] = 16\n",
"plt.rcParams['ytick.labelsize'] = 16\n",
"\n",
"# plot velocity of gas along the flow direction\n",
"plt.figure(figsize = (16,18))\n",
"plt.subplot(3,2,1)\n",
"plt.plot(np.arange(0,0.7,0.1), solution.values.y[:,0], color=colors[0])\n",
"plt.xlabel('Distance (m)')\n",
"plt.ylabel('Velocity (m/s)')\n",
"f, ax = plt.subplots(3,2, figsize=(9,9), dpi=96)\n",
"ax[0,0].plot(times, solution.values.y[:,0], color='C0')\n",
"ax[0,0].set_xlabel('Distance (m)')\n",
"ax[0,0].set_ylabel('Velocity (m/s)')\n",
"\n",
"# plot gas density along the flow direction\n",
"plt.subplot(3,2,2)\n",
"plt.plot(np.arange(0,0.7,0.1),solution.values.y[:,1], color=colors[1])\n",
"plt.xlabel('Distance (m)')\n",
"plt.ylabel('Density ($\\mathregular{kg/m^3}$)')\n",
"plt.ticklabel_format(axis='y', style='sci', scilimits=(-2,2)) # scientific notation\n",
"ax[0,1].plot(times, solution.values.y[:,1], color='C1')\n",
"ax[0,1].set_xlabel('Distance (m)')\n",
"ax[0,1].set_ylabel('Density ($\\mathregular{kg/m^3}$)')\n",
"ax[0,1].ticklabel_format(axis='y', style='sci', scilimits=(-2,2)) # scientific notation\n",
"\n",
"# plot major and minor gas species separately\n",
"minor_idx = []\n",
@ -422,36 +415,33 @@
" major_idx.append(i)\n",
"\n",
"# plot minor species\n",
"plt.subplot(3,2,3)\n",
"for i in minor_idx:\n",
" plt.plot(np.arange(0,0.7,0.1), solution.values.y[:,2+i], label=gas.species_names[i])\n",
"plt.legend(fontsize=11, loc='upper left')\n",
"plt.xlabel('Distance (m)')\n",
"plt.ylabel('Mass Fraction')\n",
"plt.ticklabel_format(axis='y', style='sci', scilimits=(-2,2)) # scientific notation\n",
" style = '-' if i < 10 else '--' \n",
" ax[1,0].plot(times, solution.values.y[:,2+i], label=gas.species_names[i], linestyle=style)\n",
"ax[1,0].legend(fontsize=7, loc='upper right')\n",
"ax[1,0].set_xlabel('Distance (m)')\n",
"ax[1,0].set_ylabel('Mass Fraction')\n",
"ax[1,0].ticklabel_format(axis='y', style='sci', scilimits=(-2,2)) # scientific notation\n",
"\n",
"# plot major species\n",
"plt.subplot(3,2,4)\n",
"for j in major_idx:\n",
" plt.plot(np.arange(0,0.7,0.1),solution.values.y[:,2+j], label=gas.species_names[j])\n",
"plt.legend(fontsize=11, loc='best')\n",
"plt.xlabel('Distance (m)')\n",
"plt.ylabel('Mass Fraction')\n",
" ax[1,1].plot(times,solution.values.y[:,2+j], label=gas.species_names[j])\n",
"ax[1,1].legend(loc='best')\n",
"ax[1,1].set_xlabel('Distance (m)')\n",
"ax[1,1].set_ylabel('Mass Fraction')\n",
"\n",
"# plot the pressure of the gas along the flow direction\n",
"plt.subplot(3,2,5)\n",
"plt.plot(np.arange(0,0.7,0.1), solution.values.y[:,2+N], color=colors[2])\n",
"plt.xlabel('Distance (m)')\n",
"plt.ylabel('Pressure (Pa)')\n",
"ax[2,0].plot(times, solution.values.y[:,2+N], color='C2')\n",
"ax[2,0].set_xlabel('Distance (m)')\n",
"ax[2,0].set_ylabel('Pressure (Pa)')\n",
"\n",
"# plot the site fraction of the surface species along the flow direction \n",
"plt.subplot(3,2,6)\n",
"for i,name in enumerate(gas_Si_N_interface.species_names):\n",
" plt.plot(np.arange(0,0.7,0.1), solution.values.y[:,3+N+i], label= '%s'%(name))\n",
"plt.legend(fontsize=12)\n",
"plt.xlabel('Distance (m)')\n",
"plt.ylabel('Site Fraction')\n",
"plt.show()"
" ax[2,1].plot(times, solution.values.y[:,3+N+i], label=name)\n",
"ax[2,1].legend()\n",
"ax[2,1].set_xlabel('Distance (m)')\n",
"ax[2,1].set_ylabel('Site Fraction')\n",
"f.tight_layout(pad=0.5)"
]
},
{
@ -672,15 +662,24 @@
"solver = dae(\n",
" 'ida',\n",
" residual, \n",
" first_step_size=1e-18,\n",
" atol=1e-8, # absolute tolerance for solution\n",
" rtol=1e-8, # relative tolerance for solution\n",
" algebraic_vars_idx=[np.arange(3+N,3+N+M,1)], \n",
" max_steps=5000,\n",
" one_step_compute=True,\n",
" old_api=False\n",
")\n",
"\n",
"solution = solver.solve(np.arange(0,0.7,0.1), vec0,vecp0)"
"time = []\n",
"solution = []\n",
"state = solver.init_step(0.0, vec0, vecp0)\n",
"while state.values.t < 0.7:\n",
" time.append(state.values.t)\n",
" solution.append(state.values.y)\n",
" state = solver.step(0.7)\n",
"\n",
"time = np.array(time)\n",
"solution = np.array(solution)"
]
},
{
@ -703,71 +702,62 @@
}
],
"source": [
"plt.rcParams['axes.labelsize'] = 18\n",
"plt.rcParams['xtick.labelsize'] = 16\n",
"plt.rcParams['ytick.labelsize'] = 16\n",
"f, ax = plt.subplots(4,2, figsize=(9,12), dpi=96)\n",
"\n",
"# plot gas velocity along the flow direction\n",
"plt.figure(figsize = (16,24))\n",
"plt.subplot(4,2,1)\n",
"plt.plot(np.arange(0,0.7,0.1),solution.values.y[:,0], color=colors[0])\n",
"plt.xlabel('Distance (m)')\n",
"plt.ylabel('Velocity (m/s)')\n",
"ax[0,0].plot(time, solution[:,0], color='C0')\n",
"ax[0,0].set_xlabel('Distance (m)')\n",
"ax[0,0].set_ylabel('Velocity (m/s)')\n",
"\n",
"# plot gas density along the flow direction\n",
"plt.subplot(4,2,2)\n",
"plt.plot(np.arange(0,0.7,0.1),solution.values.y[:,1], color=colors[1])\n",
"plt.xlabel('Distance (m)')\n",
"plt.ylabel('Density ($\\mathregular{kg/m^3}$)')\n",
"plt.ticklabel_format(axis='y', style='sci', scilimits=(-2,2)) # scientific notation\n",
"ax[0,1].plot(time, solution[:,1], color='C1')\n",
"ax[0,1].set_xlabel('Distance (m)')\n",
"ax[0,1].set_ylabel('Density ($\\mathregular{kg/m^3}$)')\n",
"ax[0,1].ticklabel_format(axis='y', style='sci', scilimits=(-2,2)) # scientific notation\n",
"\n",
"# plot major and minor gas species separately\n",
"minor_idx = []\n",
"major_idx = []\n",
"for i,name in enumerate(gas.species_names): \n",
" mean = np.mean(solution.values.y[:,2+i])\n",
" mean = np.mean(solution[:,2+i])\n",
" if mean <= 0.01:\n",
" minor_idx.append(i) \n",
" else:\n",
" major_idx.append(i)\n",
"\n",
"# plot minor gas species along the flow direction\n",
"plt.subplot(4,2,3)\n",
"for i in minor_idx:\n",
" plt.plot(np.arange(0,0.7,0.1), solution.values.y[:,2+i], label=gas.species_names[i])\n",
"plt.legend(fontsize=11, loc='best')\n",
"plt.xlabel('Distance (m)')\n",
"plt.ylabel('Mass Fraction')\n",
"plt.ticklabel_format(axis='y', style='sci', scilimits=(-2,2)) # scientific notation\n",
" style = '-' if i < 10 else '--'\n",
" ax[1,0].plot(time, solution[:,2+i], label=gas.species_names[i], linestyle=style)\n",
"ax[1,0].legend(fontsize=7.5, loc='best')\n",
"ax[1,0].set_xlabel('Distance (m)')\n",
"ax[1,0].set_ylabel('Mass Fraction')\n",
"ax[1,0].ticklabel_format(axis='y', style='sci', scilimits=(-2,2)) # scientific notation\n",
"\n",
"# plot major gas species along the flow direction\n",
"plt.subplot(4,2,4)\n",
"for j in major_idx:\n",
" plt.plot(np.arange(0,0.7,0.1), solution.values.y[:,2+j], label=gas.species_names[j])\n",
"plt.legend(fontsize=11, loc='best')\n",
"plt.xlabel('Distance (m)')\n",
"plt.ylabel('Mass Fraction')\n",
" ax[1,1].plot(time, solution[:,2+j], label=gas.species_names[j])\n",
"ax[1,1].legend(fontsize=8, loc='best')\n",
"ax[1,1].set_xlabel('Distance (m)')\n",
"ax[1,1].set_ylabel('Mass Fraction')\n",
"\n",
"# plot the pressure of the gas along the flow direction\n",
"plt.subplot(4,2,5)\n",
"plt.plot(np.arange(0,0.7,0.1), solution.values.y[:,2+N], color=colors[2])\n",
"plt.xlabel('Distance (m)')\n",
"plt.ylabel('Pressure (Pa)')\n",
"ax[2,0].plot(time, solution[:,2+N], color='C2')\n",
"ax[2,0].set_xlabel('Distance (m)')\n",
"ax[2,0].set_ylabel('Pressure (Pa)')\n",
"\n",
"# plot the site fraction of the surface species along the flow direction\n",
"plt.subplot(4,2,6)\n",
"for i,name in enumerate(gas_Si_N_interface.species_names):\n",
" plt.plot(np.arange(0,0.7,0.1), solution.values.y[:,3+N+i], label=name)\n",
"plt.legend(fontsize=12)\n",
"plt.xlabel('Distance (m)')\n",
"plt.ylabel('Site Fraction')\n",
" ax[2,1].plot(time, solution[:,3+N+i], label=name)\n",
"ax[2,1].legend(fontsize=8)\n",
"ax[2,1].set_xlabel('Distance (m)')\n",
"ax[2,1].set_ylabel('Site Fraction')\n",
"\n",
"# plot the temperature profile along the flow direction\n",
"plt.subplot(4,2,7)\n",
"plt.plot(np.arange(0,0.7,0.1), solution.values.y[:,-1], color=colors[3])\n",
"plt.xlabel('Distance (m)')\n",
"plt.ylabel('Temp (K)')\n",
"plt.show()"
"ax[3,0].plot(time, solution[:,-1], color='C3')\n",
"ax[3,0].set_xlabel('Distance (m)')\n",
"ax[3,0].set_ylabel('Temperature (K)')\n",
"f.tight_layout(pad=0.5)"
]
}
],