{
 "cells": [
  {
   "cell_type": "code",
   "execution_count": null,
   "id": "8bec74cc",
   "metadata": {},
   "outputs": [],
   "source": [
    "import si_units as si\n",
    "import feos\n",
    "\n",
    "parameters = feos.Parameters.from_json(\n",
    "    substances=['methanol', '1-propanol'], \n",
    "    pure_path='../../parameters/pcsaft/gross2002.json'\n",
    ")\n",
    "ideal_gas_parameters = feos.Parameters.from_json(\n",
    "    substances=['methanol', '1-propanol'], \n",
    "    pure_path='../../parameters/ideal_gas/poling2000.json'\n",
    ")\n",
    "eos = feos.EquationOfState.pcsaft(parameters).dippr(ideal_gas_parameters)"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "0ace1cfd",
   "metadata": {},
   "source": [
    "## Tp-flash"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "id": "e11fa945",
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "   dew point pressure: 0.6356 bar\n",
      "bubble point pressure: 0.9245 bar\n"
     ]
    },
    {
     "data": {
      "text/markdown": [
       "||temperature|density|molefracs|\n",
       "|-|-|-|-|\n",
       "|phase 1|350.00000 K|28.75751  mol/m³|[0.59847, 0.40153]|\n",
       "|phase 2|350.00000 K|14.29164 kmol/m³|[0.28954, 0.71046]|\n"
      ],
      "text/plain": [
       "phase 0: T = 350.00000 K, ρ = 28.75751  mol/m³, x = [0.59847, 0.40153]\n",
       "phase 1: T = 350.00000 K, ρ = 14.29164 kmol/m³, x = [0.28954, 0.71046]"
      ]
     },
     "execution_count": 2,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "x1 = 0.4\n",
    "temperature = 350*si.KELVIN\n",
    "\n",
    "p_bubble = feos.PhaseEquilibrium.bubble_point(eos, temperature, x1).liquid.pressure()\n",
    "p_dew = feos.PhaseEquilibrium.dew_point(eos, temperature, x1).vapor.pressure()\n",
    "print(f\"bubble point pressure: {p_bubble/si.BAR:.4} bar\")\n",
    "print(f\"   dew point pressure: {p_dew/si.BAR:.4} bar\")\n",
    "\n",
    "feos.PhaseEquilibrium.tp_flash(eos, temperature, 0.8*si.BAR, x1)"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "73c81e37",
   "metadata": {},
   "source": [
    "## ph-flash"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "id": "b3acf88f",
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "bubble point\ttemperature: 352.06 K\tenthalpy: -36.5900 kJ/mol\n",
      "   dew point\ttemperature: 361.09 K\tenthalpy:   3.9800 kJ/mol\n"
     ]
    },
    {
     "data": {
      "text/markdown": [
       "||temperature|density|molefracs|\n",
       "|-|-|-|-|\n",
       "|phase 1|360.47941 K|34.58586  mol/m³|[0.42362, 0.57638]|\n",
       "|phase 2|360.47941 K|13.28059 kmol/m³|[0.17482, 0.82518]|\n"
      ],
      "text/plain": [
       "phase 0: T = 360.47941 K, ρ = 34.58586  mol/m³, x = [0.42362, 0.57638]\n",
       "phase 1: T = 360.47941 K, ρ = 13.28059 kmol/m³, x = [0.17482, 0.82518]"
      ]
     },
     "execution_count": 3,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "x1 = 0.4\n",
    "pressure = si.BAR\n",
    "bubble = feos.PhaseEquilibrium.bubble_point(eos, pressure, x1, 300*si.KELVIN).liquid\n",
    "dew = feos.PhaseEquilibrium.dew_point(eos, pressure, x1, 300*si.KELVIN).vapor\n",
    "print(f\"bubble point\\ttemperature: {bubble.temperature/si.KELVIN:.2f} K\\tenthalpy: {bubble.molar_enthalpy()/(si.KILO*si.JOULE/si.MOL):8.4f} kJ/mol\")\n",
    "print(f\"   dew point\\ttemperature: {dew.temperature/si.KELVIN:.2f} K\\tenthalpy: {dew.molar_enthalpy()/(si.KILO*si.JOULE/si.MOL):8.4f} kJ/mol\")\n",
    "\n",
    "feos.PhaseEquilibrium.ph_flash(eos, pressure, 0*si.JOULE/si.MOL, x1, 356*si.KELVIN)"
   ]
  }
 ],
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