diff --git a/examples/chamber.ipynb b/examples/chamber.ipynb new file mode 100644 index 00000000..5d2dd8a0 --- /dev/null +++ b/examples/chamber.ipynb @@ -0,0 +1,3807 @@ +{ + "cells": [ + { + "cell_type": "markdown", + "id": "7968866b-24b8-4ed6-bc13-6035310cb4f5", + "metadata": {}, + "source": [ + "[![View notebook](https://img.shields.io/static/v1?label=render%20on&logo=github&color=87ce3e&message=GitHub)](https://github.com/open-atmos/PyPartMC/blob/main/examples/chamber.ipynb) \n", + "[![Open In Colab](https://colab.research.google.com/assets/colab-badge.svg)](https://colab.research.google.com/github/open-atmos/PyPartMC/blob/main/examples/chamber.ipynb) \n", + "[![Binder](https://mybinder.org/badge_logo.svg)](https://mybinder.org/v2/gh/open-atmos/PyPartMC.git/main?urlpath=lab/tree/examples/chamber.ipynb) \n", + "[![ARM JupyterHub](https://img.shields.io/static/v1?label=launch%20in&logo=jupyter&color=lightblue&message=ARM+JupyterHub)](https://jupyterhub.arm.gov/hub/user-redirect/git-pull?repo=https%3A//github.com/open-atmos/PyPartMC&branch=main&urlPath=) (requires [logging in with ARM account](https://www.arm.gov/capabilities/computing-resources) and directing Jupyter to a notebook within the cloned repo)" + ] + }, + { + "cell_type": "code", + "execution_count": 1, + "id": "159edeb4", + "metadata": {}, + "outputs": [], + "source": [ + "# This file is a part of PyPartMC licensed under the GNU General Public License v3\n", + "# Copyright (C) 2023 University of Illinois Urbana-Champaign\n", + "# Authors:\n", + "# - https://github.com/compdyn/partmc/graphs/contributors\n", + "# - https://github.com/open-atmos/PyPartMC/graphs/contributors" + ] + }, + { + "cell_type": "code", + "execution_count": 2, + "id": "4f8359c2", + "metadata": {}, + "outputs": [], + "source": [ + "import sys\n", + "import os\n", + "if 'google.colab' in sys.modules:\n", + " !pip --quiet install open-atmos-jupyter-utils\n", + " from open_atmos_jupyter_utils import pip_install_on_colab\n", + " pip_install_on_colab('PyPartMC')\n", + "elif 'JUPYTER_IMAGE' in os.environ and '.arm.gov' in os.environ['JUPYTER_IMAGE']:\n", + " !pip --quiet install PyPartMC open_atmos_jupyter_utils\n", + " _pypartmc_path = !pip show PyPartMC | fgrep Location | cut -f2 -d' '\n", + " sys.path.extend(_pypartmc_path if _pypartmc_path[0] not in sys.path else [])" + ] + }, + { + "cell_type": "code", + "execution_count": 7, + "id": "b494ea6e", + "metadata": {}, + "outputs": [], + "source": [ + "import numpy as np\n", + "import matplotlib.pyplot as plt\n", + "from open_atmos_jupyter_utils import show_plot\n", + "import PyPartMC as ppmc\n", + "from PyPartMC import si" + ] + }, + { + "cell_type": "code", + "execution_count": 12, + "id": "aa2c0567-2b75-47ba-bf6d-d5a0c22b5b83", + "metadata": {}, + "outputs": [ + { + "name": "stdout", + "output_type": "stream", + "text": [ + "/home/user/devel/PyPartMC/PyPartMC/examples\n" + ] + } + ], + "source": [] + }, + { + "cell_type": "code", + "execution_count": 4, + "id": "df8d1a84", + "metadata": {}, + "outputs": [], + "source": [ + "gas_data = ppmc.GasData((\"H2SO4\",\"HNO3\",\"HCl\",\"NH3\",\"NO\",\"NO2\", \"NO3\",\n", + " \"N2O5\", \"HONO\", \"HNO4\", \"O3\", \"O1D\", \"O3P\", \"OH\",\n", + " \"HO2\", \"H2O2\", \"CO\", \"SO2\", \"CH4\", \"C2H6\", \"CH3O2\", \n", + " \"ETHP\", \"HCHO\", \"CH3OH\", \"ANOL\", \"CH3OOH\", \"ETHOOH\",\n", + " \"ALD2\", \"HCOOH\", \"RCOOH\", \"C2O3\", \"PAN\", \"ARO1\", \"ARO2\",\n", + " \"ALK1\", \"OLE1\", \"API1\", \"API2\", \"LIM1\", \"LIM2\", \"PAR\", \"AONE\",\n", + " \"MGLY\", \"ETH\", \"OLET\", \"OLEI\", \"TOL\", \"XYL\", \"CRES\", \"TO2\",\n", + " \"CRO\", \"OPEN\", \"ONIT\", \"ROOH\", \"RO2\", \"ANO2\", \"NAP\", \"XO2\",\n", + " \"XPAR\", \"ISOP\", \"ISOPRD\", \"ISOPP\", \"ISOPN\", \"ISOPO2\", \"API\",\n", + " \"LIM\", \"DMS\", \"MSA\", \"DMSO\", \"DMSO2\", \"CH3SO2H\", \"CH3SCH2OO\", \n", + " \"CH3SO2\", \"CH3SO3\", \"CH3SO2OO\", \"CH3SO2CH2OO\", \"SULFHOX\"\n", + " ))" + ] + }, + { + "cell_type": "code", + "execution_count": 5, + "id": "a2d7bad8", + "metadata": {}, + "outputs": [], + "source": [ + "env_state = ppmc.EnvState(\n", + " {\n", + " \"rel_humidity\": 0.00,\n", + " \"latitude\": 0,\n", + " \"longitude\": 0,\n", + " \"altitude\": 0 * si.m,\n", + " \"start_time\": 21600 * si.s,\n", + " \"start_day\": 200,\n", + " }\n", + ")" + ] + }, + { + "cell_type": "code", + "execution_count": 6, + "id": "815283a0", + "metadata": {}, + "outputs": [], + "source": [ + "aero_data = ppmc.AeroData(\n", + " (\n", + " # density ions in soln (1) molecular weight kappa (1)\n", + " # | | | |\n", + " {\"SO4\": [1760 * si.kg / si.m**3, 1, 96.0 * si.g / si.mol, 0.00]},\n", + " {\"NO3\": [1800 * si.kg / si.m**3, 1, 62.0 * si.g / si.mol, 0.00]},\n", + " {\"Cl\": [2200 * si.kg / si.m**3, 1, 35.5 * si.g / si.mol, 0.00]},\n", + " {\"NH4\": [1760 * si.kg / si.m**3, 1, 18.0 * si.g / si.mol, 0.00]},\n", + " {\"MSA\": [1800 * si.kg / si.m**3, 0, 95.0 * si.g / si.mol, 0.53]},\n", + " {\"ARO1\": [1400 * si.kg / si.m**3, 0, 150.0 * si.g / si.mol, 0.10]},\n", + " {\"ARO2\": [1400 * si.kg / si.m**3, 0, 150.0 * si.g / si.mol, 0.10]},\n", + " {\"ALK1\": [1400 * si.kg / si.m**3, 0, 140.0 * si.g / si.mol, 0.10]},\n", + " {\"OLE1\": [1400 * si.kg / si.m**3, 0, 140.0 * si.g / si.mol, 0.10]},\n", + " {\"API1\": [1400 * si.kg / si.m**3, 0, 184.0 * si.g / si.mol, 0.10]},\n", + " {\"API2\": [1400 * si.kg / si.m**3, 0, 184.0 * si.g / si.mol, 0.10]},\n", + " {\"LIM1\": [1400 * si.kg / si.m**3, 0, 200.0 * si.g / si.mol, 0.10]},\n", + " {\"LIM2\": [1400 * si.kg / si.m**3, 0, 200.0 * si.g / si.mol, 0.10]},\n", + " {\"CO3\": [2600 * si.kg / si.m**3, 1, 60.0 * si.g / si.mol, 0.00]},\n", + " {\"Na\": [2200 * si.kg / si.m**3, 1, 23.0 * si.g / si.mol, 0.00]},\n", + " {\"Ca\": [2600 * si.kg / si.m**3, 1, 40.0 * si.g / si.mol, 0.00]},\n", + " {\"OIN\": [2600 * si.kg / si.m**3, 0, 1.0 * si.g / si.mol, 0.10]},\n", + " {\"OC\": [1566 * si.kg / si.m**3, 0, 1.0 * si.g / si.mol, 0.001]},\n", + " {\"BC\": [1700 * si.kg / si.m**3, 0, 1.0 * si.g / si.mol, 0.00]},\n", + " {\"H2O\": [1000 * si.kg / si.m**3, 0, 18.0 * si.g / si.mol, 0.00]},\n", + " )\n", + ")\n", + "\n", + "aero_data.frac_dim = 2.3\n", + "aero_data.vol_fill_factor = 1.43\n", + "aero_data.prime_radius = 4.5e-8" + ] + }, + { + "cell_type": "code", + "execution_count": 7, + "id": "c822823d", + "metadata": {}, + "outputs": [], + "source": [ + "gas_state = ppmc.GasState(gas_data)\n", + "\n", + "input_gas_state = (\n", + " {\"NO\": [0.1E+00]},\n", + ")\n", + "\n", + "gas_state.mix_rats = input_gas_state" + ] + }, + { + "cell_type": "code", + "execution_count": 8, + "id": "58706963", + "metadata": {}, + "outputs": [], + "source": [ + "times = [0 * si.s]\n", + "back_gas = [{\"time\": times},\n", + " {\"rate\": [0 / si.s]},\n", + " {\"NO\": [0.1E+00]},\n", + " ]\n", + "\n", + "gas_emit_times = [0]\n", + "gas_emit_rates = np.zeros(len(gas_emit_times))\n", + "SO2 = [4.234E-09]\n", + "\n", + "emit_gas = [\n", + " {\"time\": gas_emit_times},\n", + " {\"rate\": list(gas_emit_rates)},\n", + " {\"SO2\": SO2},\n", + "]\n", + "\n", + "AERO_DIST_BACKGROUND = {\n", + " \"back_small\": {\n", + " \"mass_frac\": [{\"SO4\": [1]}, {\"OC\": [1.375]}, {\"NH4\": [0.375]}],\n", + " \"diam_type\": \"geometric\",\n", + " \"mode_type\": \"log_normal\",\n", + " \"num_conc\": 0 / si.m**3,\n", + " \"geom_mean_diam\": 0.02 * si.um,\n", + " \"log10_geom_std_dev\": 0.161,\n", + " },\n", + "}\n", + "\n", + "AERO_DIST_EMIT = {\n", + " \"gasoline\": {\n", + " \"mass_frac\": [{\"OC\": [0.8]}, {\"BC\": [0.2]}],\n", + " \"diam_type\": \"geometric\",\n", + " \"mode_type\": \"log_normal\",\n", + " \"num_conc\": 0 / si.m**3,\n", + " \"geom_mean_diam\": 5e-8 * si.m,\n", + " \"log10_geom_std_dev\": 0.24,\n", + " },\n", + "}" + ] + }, + { + "cell_type": "code", + "execution_count": 9, + "id": "c6a96b7d", + "metadata": {}, + "outputs": [], + "source": [ + "time_timeseries = [0]\n", + "pressure_timeseries = list(np.ones(1) * 1e5)\n", + "temp_timeseries = [293.4]\n", + "height_timeseries = [1000]" + ] + }, + { + "cell_type": "code", + "execution_count": 10, + "id": "920e41e3", + "metadata": {}, + "outputs": [], + "source": [ + "scenario = ppmc.Scenario(\n", + " gas_data,\n", + " aero_data,\n", + " {\n", + " \"temp_profile\": [{\"time\": time_timeseries}, {\"temp\": temp_timeseries}],\n", + " \"pressure_profile\": [\n", + " {\"time\": time_timeseries},\n", + " {\"pressure\": pressure_timeseries},\n", + " ],\n", + " \"height_profile\": [{\"time\": time_timeseries}, {\"height\": height_timeseries}],\n", + " \"gas_emissions\": emit_gas,\n", + " \"gas_background\": back_gas,\n", + " \"aero_emissions\": [\n", + " {\"time\": [0 * si.s]},\n", + " {\"rate\": [0 / si.s]},\n", + " {\"dist\": [[AERO_DIST_EMIT]]},\n", + " ],\n", + " \"aero_background\": [\n", + " {\"time\": [0 * si.s]},\n", + " {\"rate\": [2.293e-5 / si.s]},\n", + " {\"dist\": [[AERO_DIST_BACKGROUND]]},\n", + " ],\n", + " \"loss_function\": \"chamber\",\n", + " \"chamber_vol\": 0.2093,\n", + " \"area_diffuse\": 1.988,\n", + " \"area_sedi\": 0.2463,\n", + " \"prefactor_BL\": 0.06,\n", + " \"exponent_BL\": 0.26,\n", + " },\n", + ")" + ] + }, + { + "cell_type": "code", + "execution_count": 11, + "id": "6722ba83", + "metadata": {}, + "outputs": [], + "source": [ + "T_INITIAL = 0.0\n", + "scenario.init_env_state(env_state, T_INITIAL)" + ] + }, + { + "cell_type": "code", + "execution_count": 12, + "id": "9781ca2f", + "metadata": {}, + "outputs": [], + "source": [ + "diams = [1.33567e-08, 1.38477e-08, 1.43478e-08, 1.48479e-08, 1.53971e-08,\n", + " 1.59972e-08, 1.65481e-08, 1.71464e-08, 1.77975e-08, 1.84467e-08,\n", + " 1.91468e-08, 1.98469e-08, 2.05470e-08, 2.12962e-08, 2.20964e-08,\n", + " 2.28965e-08, 2.36966e-08, 2.45459e-08, 2.54460e-08, 2.63953e-08,\n", + " 2.73954e-08, 2.83956e-08, 2.94449e-08, 3.05450e-08, 3.16452e-08,\n", + " 3.27945e-08, 3.39947e-08, 3.52440e-08, 3.65442e-08, 3.78444e-08,\n", + " 3.92428e-08, 4.06940e-08, 4.21433e-08, 4.36927e-08, 4.52929e-08,\n", + " 4.69423e-08, 4.86917e-08, 5.04920e-08, 5.23414e-08, 5.42417e-08,\n", + " 5.62402e-08, 5.83406e-08, 6.04409e-08, 6.26394e-08, 6.49398e-08,\n", + " 6.72893e-08, 6.97388e-08, 7.23374e-08, 7.50379e-08, 7.77383e-08,\n", + " 8.05369e-08, 8.35356e-08, 8.66361e-08, 8.97857e-08, 9.30354e-08,\n", + " 9.64341e-08, 9.99838e-08, 1.03633e-07, 1.07432e-07, 1.11382e-07,\n", + " 1.15481e-07, 1.19731e-07, 1.24080e-07, 1.28629e-07, 1.33378e-07,\n", + " 1.38228e-07, 1.43276e-07, 1.48526e-07, 1.53975e-07, 1.59625e-07,\n", + " 1.65473e-07, 1.71572e-07, 1.77871e-07, 1.84370e-07, 1.91119e-07,\n", + " 1.98118e-07, 2.05367e-07, 2.12866e-07, 2.20664e-07, 2.28763e-07,\n", + " 2.37112e-07, 2.45810e-07, 2.54858e-07, 2.64207e-07, 2.73856e-07,\n", + " 2.83854e-07, 2.94252e-07, 3.05050e-07, 3.16249e-07, 3.27847e-07,\n", + " 3.39845e-07, 3.52293e-07, 3.65191e-07, 3.78539e-07, 3.92387e-07,\n", + " 4.06784e-07, 4.21732e-07, 4.37180e-07, 4.53177e-07, 4.69774e-07,\n", + " 4.86971e-07, 5.04818e-07, 5.23316e-07, 5.42462e-07, 5.62309e-07,\n", + " 5.82905e-07, 6.04302e-07, 6.26449e-07, 6.49395e-07, 6.73191e-07,\n", + " 6.97837e-07, 7.23383e-07, 7.49878e-07, 7.77374e-07, 8.05870e-07,\n", + " 8.35396e-07]\n", + "\n", + "concs = [1.03e+07, 1.04e+07, 4.39e+06, 4.44e+06, 8.03e+06, 7.53e+06,\n", + " 3.77e+06, 9.10e+06, 9.77e+06, 1.32e+07, 1.54e+07, 2.26e+07,\n", + " 2.14e+07, 3.20e+07, 2.68e+07, 3.36e+07, 4.62e+07, 6.90e+07,\n", + " 8.63e+07, 9.12e+07, 1.11e+08, 1.50e+08, 1.57e+08, 1.96e+08,\n", + " 2.44e+08, 2.83e+08, 3.48e+08, 3.99e+08, 4.47e+08, 5.42e+08,\n", + " 5.91e+08, 6.37e+08, 7.77e+08, 8.68e+08, 9.50e+08, 1.13e+09,\n", + " 1.25e+09, 1.36e+09, 1.47e+09, 1.66e+09, 1.90e+09, 1.94e+09,\n", + " 2.14e+09, 2.38e+09, 2.40e+09, 2.58e+09, 2.81e+09, 2.87e+09,\n", + " 2.96e+09, 3.13e+09, 3.27e+09, 3.53e+09, 3.51e+09, 3.60e+09,\n", + " 3.81e+09, 3.90e+09, 3.87e+09, 3.89e+09, 3.91e+09, 3.94e+09,\n", + " 3.94e+09, 3.76e+09, 3.76e+09, 3.74e+09, 3.53e+09, 3.38e+09,\n", + " 3.34e+09, 3.19e+09, 3.00e+09, 2.81e+09, 2.56e+09, 2.42e+09,\n", + " 2.18e+09, 1.96e+09, 1.74e+09, 1.52e+09, 1.36e+09, 1.15e+09,\n", + " 9.86e+08, 8.00e+08, 6.91e+08, 5.82e+08, 4.58e+08, 3.65e+08,\n", + " 2.80e+08, 2.08e+08, 1.64e+08, 1.25e+08, 8.43e+07, 6.77e+07,\n", + " 6.23e+07, 3.54e+07, 3.59e+07, 3.04e+07, 1.90e+07, 1.31e+07,\n", + " 1.23e+07, 1.26e+07, 9.70e+06, 1.12e+07, 1.25e+07, 6.67e+06,\n", + " 8.67e+06, 8.51e+06, 6.23e+06, 5.12e+06, 5.63e+06, 5.36e+06,\n", + " 4.29e+06, 5.55e+06, 4.83e+06, 4.47e+06, 2.90e+06, 2.11e+06,\n", + " 3.86e+06]\n", + "\n", + "AERO_DIST_INIT = [\n", + " {\n", + " \"test_mode\": {\n", + " \"mass_frac\": [{\"SO4\": [96]}, {\"NH4\": [36]}],\n", + " \"diam_type\": \"geometric\",\n", + " \"mode_type\": \"sampled\",\n", + " \"size_dist\": [\n", + " {\"diam\": diams},\n", + " {\"num_conc\": concs},\n", + " ],\n", + " }\n", + " }\n", + "]\n", + "\n", + "aero_dist_init = ppmc.AeroDist(aero_data, AERO_DIST_INIT)" + ] + }, + { + "cell_type": "code", + "execution_count": 13, + "id": "d8d9c8fd", + "metadata": {}, + "outputs": [ + { + "data": { + "text/plain": [ + "33597" + ] + }, + "execution_count": 13, + "metadata": {}, + "output_type": "execute_result" + } + ], + "source": [ + "run_part_opt = ppmc.RunPartOpt(\n", + " {\n", + " \"output_prefix\": \"urban_plume\",\n", + " \"do_coagulation\": True,\n", + " \"coag_kernel\": \"brown\",\n", + " \"t_max\": 20160 * si.s,\n", + " \"del_t\": 60 * si.s,\n", + " }\n", + ")\n", + "\n", + "N_PART = 100000\n", + "aero_state = ppmc.AeroState(aero_data, N_PART, 'nummass_source')\n", + "aero_state.dist_sample(\n", + " aero_dist_init,\n", + " sample_prop=1.0,\n", + " create_time=0.0,\n", + " allow_doubling=True,\n", + " allow_halving=True,\n", + ")" + ] + }, + { + "cell_type": "code", + "execution_count": 14, + "id": "5c8aef2b", + "metadata": {}, + "outputs": [], + "source": [ + "camp_core = ppmc.CampCore()\n", + "photolysis = ppmc.Photolysis()" + ] + }, + { + "cell_type": "code", + "execution_count": 15, + "id": "0f7c29fe", + "metadata": {}, + "outputs": [], + "source": [ + "N_STEPS = int(run_part_opt.t_max / run_part_opt.del_t)\n", + "num_conc = np.zeros(N_STEPS + 1)\n", + "num_conc[0] = aero_state.total_num_conc\n", + "mass_conc = np.zeros(N_STEPS + 1)\n", + "mass_conc[0] = aero_state.total_mass_conc\n", + "time = np.zeros(N_STEPS + 1)\n", + "gas_mix_rat = np.zeros((N_STEPS + 1, gas_state.n_spec))\n", + "gas_mix_rat[0, :] = gas_state.mix_rats\n", + "\n", + "height = np.zeros((N_STEPS + 1))\n", + "temperature = np.zeros((N_STEPS + 1))\n", + "rh = np.zeros((N_STEPS + 1))\n", + "\n", + "height[0] = env_state.height\n", + "temperature[0] = env_state.temp\n", + "rh[0] = env_state.rh\n", + "\n", + "diam_grid = ppmc.BinGrid(30, \"log\", 1e-9, 1e-6)\n", + "dists = []\n", + "dry_diameters = aero_state.dry_diameters\n", + "num_concs = aero_state.num_concs\n", + "dists.append(ppmc.histogram_1d(diam_grid, dry_diameters, num_concs))\n", + "dist_times = [0]\n", + "\n", + "last_output_time = 0.\n", + "last_progress_time = 0.\n", + "i_output = 1\n", + "\n", + "for i_time in range(1,N_STEPS + 1):\n", + " (last_output_time, last_progress_time, i_output) = ppmc.run_part_timestep(\n", + " scenario,\n", + " env_state,\n", + " aero_data,\n", + " aero_state,\n", + " gas_data,\n", + " gas_state,\n", + " run_part_opt,\n", + " camp_core,\n", + " photolysis,\n", + " i_time,\n", + " T_INITIAL,\n", + " last_output_time,\n", + " last_progress_time,\n", + " i_output\n", + " )\n", + "\n", + " num_conc[i_time] = aero_state.total_num_conc\n", + " mass_conc[i_time] = aero_state.total_mass_conc\n", + " time[i_time] = env_state.elapsed_time\n", + " gas_mix_rat[i_time, :] = gas_state.mix_rats\n", + " height[i_time] = env_state.height\n", + " temperature[i_time] = env_state.temp\n", + " rh[i_time] = env_state.rh\n", + " if np.mod(i_time * run_part_opt.del_t, 420.0) == 0:\n", + " dry_diameters = aero_state.dry_diameters\n", + " mobility_diameters = aero_state.mobility_diameters(env_state)\n", + " num_concs = aero_state.num_concs\n", + " dists.append(ppmc.histogram_1d(diam_grid, dry_diameters, num_concs))\n", + " dist_times.append(env_state.elapsed_time)" + ] + }, + { + "cell_type": "code", + "execution_count": 16, + "id": "82c0cebb", + "metadata": {}, + "outputs": [], + "source": [ + "plt.rcParams.update({'font.size': 9})\n", + "plt.rcParams.update({'figure.figsize': (3.08,2.5)})\n", + "plt.rcParams.update({\"axes.grid\" : True})" + ] + }, + { + "cell_type": "code", + "execution_count": 15, + "id": "9ab2aeed-c8f3-4683-82f0-2837d7191372", + "metadata": {}, + "outputs": [ + { + "name": "stdout", + "output_type": "stream", + "text": [ + "Overwriting ref_aero_time.txt\n" + ] + } + ], + "source": [ + "%%file ref_aero_time.txt\n", + "0\t1.30898E+11\t3.25738E-07\n", + "420\t1.19515E+11\t3.21076E-07\n", + "840\t1.09495E+11\t3.18544E-07\n", + "1260\t1.01068E+11\t3.1369E-07\n", + "1680\t94134900000\t3.1467E-07\n", + "2100\t87897200000\t3.10829E-07\n", + "2520\t82551400000\t3.08678E-07\n", + "2940\t77647400000\t3.04676E-07\n", + "3360\t73623800000\t3.01067E-07\n", + "3780\t67930500000\t2.95461E-07\n", + "4200\t65888100000\t2.90071E-07\n", + "4620\t62582400000\t2.84073E-07\n", + "5040\t59765600000\t2.80337E-07\n", + "5460\t57719900000\t2.8295E-07\n", + "5880\t54980200000\t2.83708E-07\n", + "6300\t52876900000\t2.78871E-07\n", + "6720\t51163400000\t2.76975E-07\n", + "7140\t49071700000\t2.75866E-07\n", + "7560\t46814100000\t2.71413E-07\n", + "7980\t45264200000\t2.67989E-07\n", + "8400\t43484200000\t2.6377E-07\n", + "8820\t42400400000\t2.64128E-07\n", + "9240\t40871900000\t2.58219E-07\n", + "9660\t39407200000\t2.53514E-07\n", + "10080\t38229100000\t2.52278E-07\n", + "10500\t37014700000\t2.4769E-07\n", + "10920\t35644000000\t2.42154E-07\n", + "11340\t34410900000\t2.40518E-07\n", + "11760\t33681200000\t2.43037E-07\n", + "12180\t32030300000\t2.40009E-07\n", + "12600\t31212500000\t2.38165E-07\n", + "13020\t30291900000\t2.34896E-07\n", + "13440\t29387600000\t2.30355E-07\n", + "13860\t28567600000\t2.30407E-07\n", + "14280\t27855500000\t2.28884E-07\n", + "14700\t26997800000\t2.23884E-07\n", + "15120\t26348700000\t2.21466E-07\n", + "15540\t25458700000\t2.15623E-07\n", + "15960\t24840600000\t2.14156E-07\n", + "16380\t24219400000\t2.09616E-07\n", + "16800\t23710900000\t2.05986E-07\n", + "17220\t23038300000\t2.05518E-07\n", + "17640\t22625600000\t2.02444E-07\n", + "18060\t22069200000\t2.03548E-07\n", + "18480\t21447500000\t1.99564E-07\n", + "18900\t20930500000\t1.98804E-07\n", + "19320\t20511200000\t1.98153E-07\n", + "19740\t20020700000\t1.95232E-07\n", + "20160\t19622600000\t1.90199E-07" + ] + }, + { + "cell_type": "code", + "execution_count": 16, + "id": "72077383-7d47-4265-ae8c-a1dcd10db293", + "metadata": {}, + "outputs": [ + { + "name": "stdout", + "output_type": "stream", + "text": [ + "Writing ref_aero_size_num.txt\n" + ] + } + ], + "source": [ + "%%file ref_aero_size_num.txt\n", + "1.36E-08\t6.60E+08\t6.53E+07\t1.50E+08\t2.61E+08\t6.53E+07\t6.53E+07\t1.96E+08\t9.09E+07\t1.31E+08\t1.31E+08\t6.53E+07\t0\t6.53E+07\t6.53E+07\t0\t1.96E+08\t6.53E+07\t1.31E+08\t6.53E+07\t0\t0\t1.96E+08\t0\t6.58E+06\t0\t0\t0\t1.96E+08\t1.31E+08\t0\t1.31E+08\t0\t6.53E+07\t6.53E+07\t6.53E+07\t0\t0\t0\t0\t0\t0\t0\t0\t0\t0\t0\t0\t0\t0\n", + "1.41E-08\t6.76E+08\t4.34E+08\t1.24E+08\t6.21E+07\t0\t6.21E+07\t1.24E+08\t5.58E+07\t0\t0\t0\t0\t0\t1.24E+08\t6.21E+07\t1.24E+08\t6.21E+07\t0\t0\t0\t0\t0\t6.21E+07\t5.58E+07\t0\t0\t0\t6.21E+07\t6.21E+07\t0\t0\t0\t0\t6.21E+07\t0\t0\t0\t0\t6.21E+07\t0\t2.94E+07\t6.21E+07\t6.21E+07\t6.21E+07\t0\t6.21E+07\t0\t0\t6.21E+07\n", + "1.46E-08\t2.95E+08\t1.18E+08\t1.77E+08\t4.87E+07\t0\t5.90E+07\t5.90E+07\t1.77E+08\t0\t5.90E+07\t0\t0\t0\t5.90E+07\t5.90E+07\t1.18E+08\t0\t5.90E+07\t0\t0\t0\t0\t0\t0\t4.87E+07\t0\t0\t0\t0\t0\t0\t0\t0\t0\t0\t5.90E+07\t0\t0\t5.90E+07\t0\t1.49E+08\t5.90E+07\t0\t5.90E+07\t0\t0\t5.90E+07\t0\t0\n", + "1.51E-08\t2.82E+08\t3.38E+08\t2.82E+08\t9.82E+06\t5.63E+07\t0\t8.81E+06\t0\t1.13E+08\t0\t0\t0\t0\t0\t0\t0\t1.13E+08\t0\t0\t0\t0\t1.13E+08\t5.63E+07\t0\t9.82E+06\t0\t0\t5.63E+07\t0\t0\t0\t0\t0\t0\t0\t0\t0\t5.63E+07\t0\t0\t0\t0\t0\t0\t0\t0\t0\t0\t0\n", + "1.57E-08\t4.83E+08\t3.76E+08\t1.32E+08\t5.37E+07\t5.37E+07\t1.07E+08\t9.90E+07\t0\t1.07E+08\t1.07E+08\t0\t0\t0\t5.37E+07\t0\t0\t0\t0\t0\t0\t5.37E+07\t0\t0\t0\t0\t0\t0\t5.37E+07\t0\t0\t0\t0\t0\t0\t0\t0\t0\t0\t0\t0\t0\t2.50E+07\t0\t0\t5.37E+07\t0\t0\t0\t0\n", + "1.63E-08\t5.12E+08\t3.59E+08\t1.30E+08\t5.12E+07\t5.12E+07\t0\t1.54E+08\t5.12E+07\t0\t0\t0\t0\t0\t5.12E+07\t0\t0\t0\t0\t0\t0\t0\t0\t5.12E+07\t0\t5.12E+07\t0\t0\t5.12E+07\t0\t0\t0\t0\t0\t0\t0\t0\t0\t0\t0\t0\t5.12E+07\t7.87E+07\t5.12E+07\t0\t0\t5.12E+07\t0\t0\t0\n", + "1.68E-08\t2.45E+08\t2.94E+08\t1.47E+08\t0\t0\t1.47E+08\t1.47E+08\t0\t4.89E+07\t0\t0\t0\t0\t0\t9.79E+07\t4.89E+07\t4.89E+07\t4.89E+07\t0\t4.89E+07\t0\t0\t0\t0\t0\t0\t4.89E+07\t4.89E+07\t4.89E+07\t0\t0\t0\t0\t0\t0\t0\t0\t0\t0\t0\t0\t4.89E+07\t0\t0\t0\t0\t0\t0\t0\n", + "1.75E-08\t5.62E+08\t4.33E+08\t3.40E+08\t4.68E+07\t9.37E+07\t4.68E+07\t4.68E+07\t0\t0\t4.68E+07\t9.37E+07\t0\t0\t4.68E+07\t0\t4.68E+07\t0\t0\t0\t0\t0\t1.16E+07\t0\t0\t0\t0\t0\t0\t0\t0\t0\t0\t0\t0\t0\t0\t0\t0\t0\t0\t0\t0\t0\t0\t0\t0\t0\t0\t0\n", + 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\")" + ] + }, + "metadata": {}, + "output_type": "display_data" + } + ], + "source": [ + "plot_times = [0,1,10,30]\n", + "barrel = np.loadtxt('ref_aero_size_num.txt')\n", + "diams_barrel = barrel[:,0]\n", + "\n", + "for plot_time in plot_times:\n", + " p = plt.plot(diam_grid.centers, np.array(dists[plot_time]) * np.log(10),\n", + " label=f'$t = {dist_times[plot_time] / 60:0.0f}$ m', lw=1)\n", + " plt.plot(diams_barrel, barrel[:,plot_time+1],'--',c=p[0].get_color(),lw=1)\n", + "plt.xscale(\"log\")\n", + "plt.xlabel(\"Dry diameter (m)\")\n", + "plt.ylabel(r\"Number concentration $n(D)$ ($\\#$ m$^{-3}$)\")\n", + "plt.ylim(bottom=0)\n", + "plt.legend()\n", + "plt.xlim([diam_grid.edges[0],diam_grid.edges[-1]])\n", + "show_plot()" + ] + }, + { + "cell_type": "code", + "execution_count": null, + "id": "44475ce8", + "metadata": {}, + "outputs": [], + "source": [] + } + ], + "metadata": { + "kernelspec": { + "display_name": "Python 3 (ipykernel)", + "language": "python", + "name": "python3" + }, + "language_info": { + "codemirror_mode": { + "name": "ipython", + "version": 3 + }, + "file_extension": ".py", + "mimetype": "text/x-python", + "name": "python", + "nbconvert_exporter": "python", + "pygments_lexer": "ipython3", + "version": "3.9.2" + } + }, + "nbformat": 4, + "nbformat_minor": 5 +} diff --git a/examples/chamber_data/0925/ref_aero_size_num.txt b/examples/chamber_data/0925/ref_aero_size_num.txt new file mode 100644 index 00000000..674733f2 --- /dev/null +++ b/examples/chamber_data/0925/ref_aero_size_num.txt @@ -0,0 +1,115 @@ +1.36E-08 6.60E+08 6.53E+07 1.50E+08 2.61E+08 6.53E+07 6.53E+07 1.96E+08 9.09E+07 1.31E+08 1.31E+08 6.53E+07 0 6.53E+07 6.53E+07 0 1.96E+08 6.53E+07 1.31E+08 6.53E+07 0 0 1.96E+08 0 6.58E+06 0 0 0 1.96E+08 1.31E+08 0 1.31E+08 0 6.53E+07 6.53E+07 6.53E+07 0 0 0 0 0 0 0 0 0 0 0 0 0 0 +1.41E-08 6.76E+08 4.34E+08 1.24E+08 6.21E+07 0 6.21E+07 1.24E+08 5.58E+07 0 0 0 0 0 1.24E+08 6.21E+07 1.24E+08 6.21E+07 0 0 0 0 0 6.21E+07 5.58E+07 0 0 0 6.21E+07 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2.77E+08 4.36E+08 3.22E+08 4.77E+08 3.41E+08 5.00E+08 3.82E+08 6.50E+08 3.18E+08 3.04E+08 4.09E+08 3.91E+08 3.63E+08 3.68E+08 2.91E+08 2.50E+08 3.41E+08 4.90E+08 3.86E+08 2.23E+08 5.00E+08 4.32E+08 3.59E+08 4.68E+08 6.00E+08 +5.73E-07 3.99E+08 4.60E+08 1.86E+08 2.99E+08 3.91E+08 4.37E+08 3.41E+08 2.99E+08 2.28E+08 3.02E+08 2.51E+08 2.70E+08 1.63E+08 2.55E+08 3.40E+08 3.63E+08 3.44E+08 2.78E+08 3.48E+08 4.09E+08 2.09E+08 4.09E+08 2.53E+08 3.72E+08 4.14E+08 2.53E+08 3.86E+08 2.74E+08 2.33E+08 2.74E+08 3.75E+08 3.04E+08 2.33E+08 3.49E+08 4.14E+08 3.21E+08 3.67E+08 3.40E+08 3.74E+08 2.51E+08 2.34E+08 3.03E+08 3.29E+08 2.33E+08 4.43E+08 3.95E+08 3.04E+08 5.69E+08 4.33E+08 +5.94E-07 3.27E+08 3.90E+08 2.32E+08 2.78E+08 2.36E+08 2.83E+08 3.92E+08 3.96E+08 3.07E+08 3.03E+08 2.32E+08 1.38E+08 1.89E+08 3.00E+08 3.70E+08 3.54E+08 2.32E+08 4.69E+08 3.47E+08 3.03E+08 3.07E+08 3.98E+08 1.13E+08 2.12E+08 2.32E+08 1.64E+08 3.31E+08 2.29E+08 3.54E+08 3.07E+08 3.27E+08 2.11E+08 2.12E+08 3.07E+08 1.42E+08 3.07E+08 2.36E+08 2.60E+08 1.60E+08 9.44E+07 1.87E+08 2.98E+08 1.38E+08 3.54E+08 3.25E+08 2.56E+08 4.00E+08 2.51E+08 1.89E+08 +6.15E-07 3.60E+08 3.35E+08 2.68E+08 2.92E+08 1.44E+08 9.64E+07 2.71E+08 2.32E+08 2.16E+08 1.96E+08 5.17E+07 1.72E+08 4.80E+07 3.39E+08 2.23E+08 2.40E+08 3.16E+08 2.64E+08 1.48E+08 2.56E+08 2.88E+08 2.44E+08 2.80E+08 4.44E+08 3.04E+08 1.44E+08 1.80E+08 5.35E+08 2.76E+08 4.20E+08 1.68E+08 1.68E+08 1.68E+08 4.20E+08 3.36E+08 2.40E+08 2.64E+08 1.80E+08 1.96E+08 1.44E+08 2.64E+08 2.56E+08 1.68E+08 3.12E+08 2.44E+08 3.76E+08 2.64E+08 3.92E+08 2.88E+08 +6.38E-07 3.43E+08 2.82E+08 3.19E+08 2.95E+08 1.72E+08 2.45E+08 1.47E+08 1.84E+08 1.47E+08 2.94E+08 2.46E+08 1.96E+08 7.37E+07 1.96E+08 1.96E+08 2.95E+08 2.21E+08 2.95E+08 3.21E+08 2.33E+08 2.95E+08 7.74E+07 3.33E+08 1.12E+08 1.12E+08 1.72E+08 2.82E+08 2.95E+08 2.12E+08 2.82E+08 1.96E+08 2.46E+08 2.74E+08 1.59E+08 3.68E+08 2.47E+08 1.72E+08 2.08E+08 2.21E+08 7.37E+07 2.46E+08 1.84E+08 2.72E+08 2.21E+08 2.21E+08 2.33E+08 1.76E+08 2.70E+08 7.37E+07 +6.61E-07 2.75E+08 3.02E+08 2.25E+08 2.25E+08 2.50E+08 1.75E+08 1.50E+08 1.02E+08 1.50E+08 1.25E+08 1.25E+08 1.50E+08 1.36E+07 2.00E+08 3.27E+08 2.38E+08 2.00E+08 1.75E+08 2.36E+08 1.25E+08 2.00E+08 1.71E+08 1.61E+08 1.73E+08 1.23E+08 1.50E+08 2.38E+08 1.88E+08 2.98E+08 1.88E+08 1.75E+08 2.38E+08 2.96E+08 2.99E+08 9.98E+07 2.48E+08 1.38E+08 1.50E+08 1.50E+08 1.13E+08 1.63E+08 2.75E+08 9.79E+07 1.75E+08 2.13E+08 4.99E+07 2.21E+08 7.49E+07 2.13E+08 +6.85E-07 3.55E+08 3.76E+08 2.26E+08 1.78E+08 1.01E+08 1.01E+08 2.52E+08 2.24E+08 7.61E+07 1.27E+08 2.03E+08 2.54E+07 1.13E+08 2.79E+08 3.51E+08 1.89E+08 1.27E+08 1.78E+08 6.22E+07 2.26E+08 1.76E+08 5.07E+07 1.89E+08 1.27E+08 1.76E+08 7.61E+07 2.14E+08 2.63E+08 2.77E+08 1.13E+08 2.77E+08 1.38E+08 2.26E+08 7.61E+07 1.78E+08 2.01E+08 1.38E+08 1.01E+08 5.07E+07 6.22E+07 1.36E+08 2.54E+07 1.27E+08 2.03E+08 2.12E+08 1.01E+08 1.50E+08 1.52E+08 8.76E+07 +7.11E-07 3.10E+08 1.57E+08 2.60E+08 2.58E+07 2.58E+08 2.12E+08 2.34E+08 1.83E+08 2.63E+08 1.55E+08 2.38E+08 0 8.27E+07 1.09E+08 3.17E+08 2.06E+08 2.17E+08 2.58E+08 7.74E+07 5.90E+07 2.08E+08 2.32E+08 2.06E+08 1.55E+08 1.31E+08 5.16E+07 7.74E+07 7.94E+07 5.16E+07 1.55E+08 1.05E+08 2.58E+08 1.57E+08 1.29E+08 1.81E+08 7.94E+07 1.09E+08 1.81E+08 5.16E+07 1.55E+08 1.57E+08 2.06E+08 3.10E+08 1.55E+08 1.83E+08 1.81E+08 1.11E+08 1.03E+08 1.60E+08 +7.37E-07 2.86E+08 1.04E+08 1.41E+08 5.20E+07 5.20E+07 1.51E+08 7.80E+07 1.56E+08 9.86E+07 2.45E+08 4.66E+07 1.56E+08 7.26E+07 1.77E+08 2.13E+08 2.45E+08 2.86E+08 1.56E+08 1.41E+08 8.32E+07 3.54E+08 2.08E+08 1.30E+08 5.20E+07 5.20E+07 1.67E+08 1.56E+08 1.30E+08 1.04E+08 1.82E+08 1.41E+08 7.80E+07 0 1.56E+08 1.04E+08 7.80E+07 7.26E+07 5.20E+07 1.30E+08 5.20E+07 8.86E+07 1.82E+08 1.04E+08 2.86E+08 1.30E+08 2.34E+08 2.39E+08 8.86E+07 1.35E+08 +7.64E-07 1.85E+08 1.85E+08 9.51E+07 1.06E+08 2.52E+08 1.59E+08 7.94E+07 1.72E+08 1.06E+08 6.87E+07 7.94E+07 7.94E+07 5.29E+07 1.32E+08 1.62E+08 2.01E+08 1.75E+08 1.72E+08 2.27E+08 3.21E+08 8.94E+07 1.32E+08 5.29E+07 1.06E+08 5.29E+07 9.51E+07 1.85E+08 1.32E+08 1.20E+08 2.38E+08 1.62E+08 1.06E+08 1.46E+08 1.99E+08 1.59E+08 1.06E+08 1.06E+08 5.29E+07 1.06E+08 0 1.22E+08 7.94E+07 1.59E+08 1.32E+08 5.29E+07 1.59E+08 1.22E+08 1.75E+08 5.59E+07 +7.92E-07 1.35E+08 1.88E+08 1.62E+08 2.03E+08 2.01E+08 8.08E+07 2.15E+08 6.68E+07 6.86E+07 2.69E+07 5.39E+07 1.08E+08 2.69E+07 1.62E+08 3.24E+08 8.08E+07 8.08E+07 1.89E+08 1.62E+08 9.38E+07 8.08E+07 1.88E+08 4.17E+07 0 9.56E+07 5.39E+07 8.08E+07 1.76E+08 1.75E+08 1.22E+08 2.01E+08 1.76E+08 6.68E+07 6.68E+07 5.39E+07 2.69E+07 1.62E+08 8.08E+07 0 2.69E+07 1.08E+08 1.35E+08 8.08E+07 9.56E+07 1.88E+08 1.35E+08 8.08E+07 5.39E+07 1.30E+07 +8.21E-07 2.47E+08 2.74E+08 1.51E+08 1.36E+08 2.74E+07 1.92E+08 1.37E+08 1.92E+08 1.49E+08 5.48E+07 5.48E+07 5.48E+07 0 1.92E+08 2.04E+08 3.02E+08 1.37E+08 9.46E+07 1.78E+08 1.10E+08 8.22E+07 2.74E+07 6.72E+07 8.22E+07 9.46E+07 5.48E+07 8.22E+07 1.49E+08 2.47E+08 6.72E+07 1.10E+08 1.49E+08 8.22E+07 9.59E+07 1.10E+08 5.48E+07 2.74E+07 1.10E+08 0 2.74E+07 8.22E+07 1.64E+08 5.48E+07 1.22E+08 5.48E+07 5.48E+07 1.23E+08 1.64E+08 1.64E+08 diff --git a/examples/chamber_data/0925/ref_aero_time.txt b/examples/chamber_data/0925/ref_aero_time.txt new file mode 100644 index 00000000..5b70cf2c --- /dev/null +++ b/examples/chamber_data/0925/ref_aero_time.txt @@ -0,0 +1,49 @@ +0 1.30898E+11 3.25738E-07 +420 1.19515E+11 3.21076E-07 +840 1.09495E+11 3.18544E-07 +1260 1.01068E+11 3.1369E-07 +1680 94134900000 3.1467E-07 +2100 87897200000 3.10829E-07 +2520 82551400000 3.08678E-07 +2940 77647400000 3.04676E-07 +3360 73623800000 3.01067E-07 +3780 67930500000 2.95461E-07 +4200 65888100000 2.90071E-07 +4620 62582400000 2.84073E-07 +5040 59765600000 2.80337E-07 +5460 57719900000 2.8295E-07 +5880 54980200000 2.83708E-07 +6300 52876900000 2.78871E-07 +6720 51163400000 2.76975E-07 +7140 49071700000 2.75866E-07 +7560 46814100000 2.71413E-07 +7980 45264200000 2.67989E-07 +8400 43484200000 2.6377E-07 +8820 42400400000 2.64128E-07 +9240 40871900000 2.58219E-07 +9660 39407200000 2.53514E-07 +10080 38229100000 2.52278E-07 +10500 37014700000 2.4769E-07 +10920 35644000000 2.42154E-07 +11340 34410900000 2.40518E-07 +11760 33681200000 2.43037E-07 +12180 32030300000 2.40009E-07 +12600 31212500000 2.38165E-07 +13020 30291900000 2.34896E-07 +13440 29387600000 2.30355E-07 +13860 28567600000 2.30407E-07 +14280 27855500000 2.28884E-07 +14700 26997800000 2.23884E-07 +15120 26348700000 2.21466E-07 +15540 25458700000 2.15623E-07 +15960 24840600000 2.14156E-07 +16380 24219400000 2.09616E-07 +16800 23710900000 2.05986E-07 +17220 23038300000 2.05518E-07 +17640 22625600000 2.02444E-07 +18060 22069200000 2.03548E-07 +18480 21447500000 1.99564E-07 +18900 20930500000 1.98804E-07 +19320 20511200000 1.98153E-07 +19740 20020700000 1.95232E-07 +20160 19622600000 1.90199E-07 diff --git a/src/aero_state.F90 b/src/aero_state.F90 index 72991192..231730e4 100644 --- a/src/aero_state.F90 +++ b/src/aero_state.F90 @@ -57,7 +57,6 @@ subroutine f_aero_state_init(ptr_c, aero_data_ptr_c, n_part, weight_c) bind(C) call c_f_pointer(aero_data_ptr_c, aero_data_ptr_f) call aero_state_zero(ptr_f) - call fractal_set_spherical(aero_data_ptr_f%fractal) call aero_state_set_weight(ptr_f, aero_data_ptr_f, weight_f) call aero_state_set_n_part_ideal(ptr_f, n_part) end subroutine