System_2_hp.ipynb

{
 "cells": [
  {
   "cell_type": "code",
   "execution_count": 1,
   "metadata": {},
   "outputs": [],
   "source": [
    "def initial_guess(T,X1,X2,P1sat,P2sat):\n",
    "    P = (X1*P1sat) + (X2*P2sat)\n",
    "    Y1 = (X1 * P1sat) / (P)\n",
    "    Y2 = (X2 * P2sat) / (P)\n",
    "#    print(\"Value of Y1 inside the function is :\",Y1)\n",
    "#    print(\"Value of Y2 inside the function is :\",Y2)\n",
    "#    print(\"Value of P inside the function is :\",P)\n",
    "    return(P,Y1,Y2)\n",
    "    \n",
    "    "
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 2,
   "metadata": {},
   "outputs": [],
   "source": [
    "def EOS_constant(Tc_1,Pc_1,omega_1,Tc_2,Pc_2,omega_2,T):\n",
    "    Pc_1 = 1000000 * Pc_1 # Converting pressure in Pa\n",
    "    Pc_2 = 1000000 * Pc_2 # Converting pressure in Pa\n",
    "    a1 = (0.45724*8.314*8.314*Tc_1*Tc_1) / Pc_1\n",
    "    a2 = (0.45724*8.314*8.314*Tc_2*Tc_2) / Pc_2\n",
    "    b1 = (0.07780*8.314*Tc_1) / Pc_1\n",
    "    b2 = (0.07780*8.314*Tc_2) / Pc_2\n",
    "    A1 = 0.37464 + (1.54226*omega_1) - (0.26992*omega_1*omega_1)\n",
    "    B1 = 1-((T/Tc_1)**0.5)\n",
    "    alpha1 = (1+(A1*B1))**2\n",
    "    A2 = 0.37464 + (1.54226*omega_2) - (0.26992*omega_2*omega_2)\n",
    "    B2 = 1-((T/Tc_2)**0.5)\n",
    "    alpha2 = (1+(A2*B2))**2\n",
    "#    print(\"Value of a1 inside the function is :\",a1)\n",
    "#    print(\"Value of b1 inside the function is :\",b1)\n",
    "#    print(\"Value of a2 inside the function is :\",a2)\n",
    "#    print(\"Value of b2 inside the function is :\",b2)\n",
    "    return(a1,b1,alpha1,a2,b2,alpha2)\n",
    "    "
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 3,
   "metadata": {},
   "outputs": [],
   "source": [
    "def mixingrule(a1,b1,alpha1,a2,b2,alpha2,z1,z2,T):\n",
    "    if T == 291.15:\n",
    "        k12 = 0.0652\n",
    "        k21 = 0.0652\n",
    "        l12 = 0.0874\n",
    "        l21 = 0.0874\n",
    "    elif T == 298.16:\n",
    "        k12 = 0.0361\n",
    "        k21 = 0.0361\n",
    "        l12 = 0.0507\n",
    "        l21 = 0.0507\n",
    "    elif T == 303.13:\n",
    "        k12 = 0.0281\n",
    "        k21 = 0.0281\n",
    "        l12 = 0.0404\n",
    "        l21 = 0.0404\n",
    "    elif T == 308.15:\n",
    "        k12 = 0.0196\n",
    "        k21 = 0.0196\n",
    "        l12 = 0.0241\n",
    "        l21 = 0.0241\n",
    "    elif T == 313.15:\n",
    "        k12 = 0.0334\n",
    "        k21 = 0.0334\n",
    "        l12 = 0.0114\n",
    "        l21 = 0.0114\n",
    "        \n",
    "    a11_alpha11 = a1*alpha1\n",
    "    a22_alpha22 = a2*alpha2\n",
    "    a12_alpha12 = (1-k12) * ((a1*alpha1*a2*alpha2)**0.5)\n",
    "    a21_alpha21 = (1-k21) * ((a2*alpha2*a1*alpha1)**0.5)\n",
    "    a_alpha_mix = (a11_alpha11 * z1 * z1) + (a12_alpha12 * z1 * z2) + (a21_alpha21 * z2 * z1) + (a22_alpha22 * z2 * z2)\n",
    "    \n",
    "    b11 = (b1+b1) * 0.5\n",
    "    b12 = (1-l12) * (b1 + b2) *0.5\n",
    "    b21 = (1-l21) * (b1 + b2) *0.5\n",
    "    b22 = (b2 +b2) *0.5\n",
    "    bmix = (b11 * z1 * z1) + (b12 * z1 * z2) + (b21 * z2 * z1) +(b22 * z2 * z2)\n",
    "#    print(\"Value of amix inside the function is :\",a_alpha_mix)\n",
    "#    print(\"Value of bmix inside the function is :\",bmix)\n",
    "    \n",
    "    return(a_alpha_mix,bmix,a11_alpha11,a12_alpha12,a21_alpha21,a22_alpha22,b11,b12,b21,b22)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 4,
   "metadata": {},
   "outputs": [],
   "source": [
    "def Vxcal(P,T,a_alpha_mix,bmix,V_y_mix):\n",
    "    \n",
    "    Delv = 1\n",
    "    Vold = V_y_mix / 10 #initial guess\n",
    "    while Delv>0.001:\n",
    "        Vnew = bmix + ((8.314*T)/(P+(a_alpha_mix/((Vold*Vold)+(2*bmix*Vold)-(bmix*bmix)))))\n",
    "        Delv = abs(Vnew - Vold)\n",
    "        Vold = Vnew\n",
    "    V = Vold\n",
    "    print(\"Value of Volume in function is\", V)\n",
    "    return V"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 5,
   "metadata": {},
   "outputs": [],
   "source": [
    "def Vycal(P,T,a_alpha_mix,bmix):\n",
    "    Delv = 1\n",
    "    Vold = (8.314*T)/(P) #initial guess\n",
    "    while Delv > 0.001:\n",
    "        Vnew = bmix + ((8.314*T)/(P+(a_alpha_mix/((Vold*Vold)+(2*bmix*Vold)-(bmix*bmix)))))\n",
    "        Delv = abs(Vnew - Vold)\n",
    "        Vold = Vnew\n",
    "    V = Vold\n",
    "    print(\"Value of Volume in function is\", V)\n",
    "    return V\n",
    "#V = volumecal(2,3,10,325.15)\n",
    "#print(\"Volume is :\",V)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 6,
   "metadata": {},
   "outputs": [],
   "source": [
    "def Zcal(P,V,T):\n",
    "    Z = (P * V)/(8.314 * T)\n",
    "#    print(\"Value of Z inside the function is :\",Z)\n",
    "    return(Z)\n",
    "    "
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 7,
   "metadata": {},
   "outputs": [],
   "source": [
    "def Phical(a11,a12,a21,a22,b1,b2,bmix,zmix,Vmix,z1,z2,a_alpha_mix): #vmix is V_Lmix and V_Vmix\n",
    "    import numpy as np\n",
    "    import math\n",
    "    import array as arr  \n",
    "    ln_phi_1 = (b1/bmix)*(zmix-1) - math.log(abs(zmix*(1-(bmix/Vmix)))) + ((a_alpha_mix)/(2*1.414*bmix*8.314*T))*(math.log(abs((Vmix+(2.414*bmix))/(Vmix-(0.414*bmix)))))*((b1/bmix)-(2*((z1*a11)+(z2*a21))/a_alpha_mix))\n",
    "    ln_phi_2 = (b2/bmix)*(zmix-1) - math.log(abs(zmix*(1-(bmix/Vmix)))) + ((a_alpha_mix)/(2*1.414*bmix*8.314*T))*(math.log(abs((Vmix+(2.414*bmix))/(Vmix-(0.414*bmix)))))*((b2/bmix)-(2*((z1*a12)+(z2*a22))/a_alpha_mix))\n",
    "#    print(\"Value of phi_1 inside the function is :\",ln_phi_1)\n",
    "#    print(\"Value of phi_2 inside the function is :\",ln_phi_2)\n",
    "    phi_1 = math.exp(ln_phi_1)\n",
    "    phi_2 = math.exp(ln_phi_2)\n",
    "#    print(\"Value of phi_1 inside the function is :\",phi_1)\n",
    "#    print(\"Value of phi_2 inside the function is :\",phi_2)\n",
    "    return(phi_1,phi_2)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 8,
   "metadata": {},
   "outputs": [],
   "source": [
    "def Kcal(phi_1_x,phi_2_x,phi_1_y,phi_2_y):\n",
    "    K1 = (phi_1_x) / (phi_1_y)\n",
    "    K2 = (phi_2_x) / (phi_2_y)\n",
    "#    print(\"Value of K1 inside the function is :\",K1)\n",
    "#    print(\"Value of K2 inside the function is :\",K2)\n",
    "    return(K1,K2)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 9,
   "metadata": {},
   "outputs": [],
   "source": [
    "def Ycal(K1,K2,x1,x2):\n",
    "    y1 = K1 * x1\n",
    "    y2 = K2 * x2\n",
    "#    print(\"Value of y1 inside the function is :\",y1)\n",
    "#    print(\"Value of y1 inside the function is :\",y2)\n",
    "    return(y1,y2)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 10,
   "metadata": {},
   "outputs": [],
   "source": [
    "def kixi (K1,K2,X1,X2):\n",
    "    K1x1 = K1 * X1\n",
    "    K2x2 = K2 * X2\n",
    "    Sum_Kx = K1x1 + K2x2\n",
    "    Y1 = (K1x1) / (Sum_Kx)\n",
    "    Y2 = (K2x2) / (Sum_Kx)\n",
    "    return(Y1,Y2,Sum_Kx)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 11,
   "metadata": {},
   "outputs": [],
   "source": [
    "def Ynormalize(y1,y2):\n",
    "    ysum = y1 + y2\n",
    "    y1 = y1 / ysum\n",
    "    y2 = y2 / ysum\n",
    "#    print(\"Value of y1 inside the function is :\",y1)\n",
    "#    print(\"Value of y2 inside the function is :\",y2)\n",
    "    return(y1,y2)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 12,
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "Enter value of X1\n",
      "0.984\n",
      "Initial guess P is: 39962779.95593164\n",
      "Roults law Y1 is : 0.9999775044666891\n",
      "Roults law Y2 is : 2.2495533310903137e-05\n",
      "Roults law Ysum is : 1.0\n",
      "Value of Volume in function is 5.3969733952024846e-05\n",
      "Value of Volume in function is 2.4172652566093632e-05\n",
      "K1 initial is : 1.0463468674409377\n",
      "K2 initial is : 0.09091984904869278\n",
      "Y1 initial is : 0.9985891072998887\n",
      "Y2 initial is : 0.0014108927001112066\n",
      "Here while of initial guess stats\n",
      "Value of Volume in function is 5.3957089694656e-05\n",
      "Value of Volume in function is 2.4172073620869155e-05\n",
      "diff in initial while loop is : 0.000204632036840513\n",
      "Initial while loop K1 value is : 1.0465488563078242\n",
      "Initial while loop K2 value is : 0.09128703631833378\n",
      "Initial while loop Y1 value is : 0.9985836903855657\n",
      "Initial while loop Y2 value is : 0.0014163096144342885\n",
      "Initial while loop Pressure value is : 3.996277995593164\n",
      "Initial while loop vaue is : 1\n",
      "Initial while loop Sum_Kx_old value is : 1.0312646931517393\n",
      "Initial while loop Sum_Kx_new value is : 1.0312646931517393\n",
      "We aew in Sum_Kx_new > 1 loop\n",
      "Initial while loop Sum_Kx_new value is : 1.0312646931517393\n",
      "Value of Volume in function is 5.1885479397064576e-05\n",
      "Value of Volume in function is 2.4073492269487433e-05\n",
      "Here while loop of Sum_Kx_new > 1 starts\n",
      "Value of Volume in function is 5.2796013516908717e-05\n",
      "Value of Volume in function is 2.4115177559218964e-05\n",
      "diff in while loop of Sum_Kx_new > 1 is : 0.040637036678098704\n",
      ">>>>K1 in while loop of Sum_Kx_new > 1 is >>>>: 1.0120444157350985\n",
      ">>>>K2 in while loop of Sum_Kx_new > 1 is >>>>: 0.09132405430104953\n",
      ">>>>Y1 in while loop of Sum_Kx_new > 1 is >>>>: 0.998534880713253\n",
      ">>>>Y2 in while loop of Sum_Kx_new > 1 is >>>>: 0.001465119286746967\n",
      ">>>>P in while loop of Sum_Kx_new > 1 is >>>>: 3.996277995593164\n",
      ">>>>more_while_loop in while loop of Sum_Kx_new > 1 is >>>>: 1\n",
      ">>>>Sum_Kx_old in while loop of Sum_Kx_new > 1 is >>>>: 0.9973129149770735\n",
      ">>>>Sum_Kx_new in while loop of Sum_Kx_new > 1 is >>>>: 0.9973129149770735\n",
      "Here while loop of Sum_Kx_new > 1 starts\n",
      "Value of Volume in function is 5.2795481544535724e-05\n",
      "Value of Volume in function is 2.4115153185850203e-05\n",
      "diff in while loop of Sum_Kx_new > 1 is : 9.70672973210629e-06\n",
      ">>>>K1 in while loop of Sum_Kx_new > 1 is >>>>: 1.0120539978093392\n",
      ">>>>K2 in while loop of Sum_Kx_new > 1 is >>>>: 0.09134142735673449\n",
      ">>>>Y1 in while loop of Sum_Kx_new > 1 is >>>>: 0.9985346162583052\n",
      ">>>>Y2 in while loop of Sum_Kx_new > 1 is >>>>: 0.0014653837416947265\n",
      ">>>>P in while loop of Sum_Kx_new > 1 is >>>>: 3.996277995593164\n",
      ">>>>more_while_loop in while loop of Sum_Kx_new > 1 is >>>>: 2\n",
      ">>>>Sum_Kx_old in while loop of Sum_Kx_new > 1 is >>>>: 0.9973226217068056\n",
      ">>>>Sum_Kx_new in while loop of Sum_Kx_new > 1 is >>>>: 0.9973226217068056\n",
      "We aew in Sum_Kx_new < 1 loop\n",
      "Initial while loop Sum_Kx_new value is : 0.9973226217068056\n",
      "Value of Volume in function is 5.2062884550116046e-05\n",
      "Value of Volume in function is 2.4081951954486517e-05\n",
      "Here while loop of Sum_Kx_new < 1 starts : \n",
      "Value of Volume in function is 5.289525115324187e-05\n",
      "Value of Volume in function is 2.412005859387924e-05\n",
      "diff after is : 0.03727756266420745\n",
      "<<<<<K1 in while loop of Sum_Kx_new < 1 is <<<<<: 1.0149650101867638\n",
      "<<<<<K2 in while loop of Sum_Kx_new < 1 is <<<<<: 0.0913172603186495\n",
      "<<<<<Y1 in while loop of Sum_Kx_new < 1 is <<<<<: 0.9985391990064898\n",
      "<<<<<Y2 in while loop of Sum_Kx_new < 1 is <<<<<: 0.0014608009935102074\n",
      "<<<<<P in while loop of Sum_Kx_new < 1 is <<<<<: 4.110186334831661\n",
      "<<<<<less_while_loop in while loop of Sum_Kx_new < 1 is <<<<<: 1\n",
      "Here while loop of Sum_Kx_new < 1 starts : \n",
      "Value of Volume in function is 5.2894758234652906e-05\n",
      "Value of Volume in function is 2.4120036011364077e-05\n",
      "diff after is : 8.899688891617075e-06\n",
      "<<<<<K1 in while loop of Sum_Kx_new < 1 is <<<<<: 1.0149737954995093\n",
      "<<<<<K2 in while loop of Sum_Kx_new < 1 is <<<<<: 0.09133319415267165\n",
      "<<<<<Y1 in while loop of Sum_Kx_new < 1 is <<<<<: 0.9985389571135601\n",
      "<<<<<Y2 in while loop of Sum_Kx_new < 1 is <<<<<: 0.0014610428864398717\n",
      "<<<<<P in while loop of Sum_Kx_new < 1 is <<<<<: 4.110186334831661\n",
      "<<<<<less_while_loop in while loop of Sum_Kx_new < 1 is <<<<<: 2\n"
     ]
    }
   ],
   "source": [
    "if __name__ == \"__main__\":\n",
    "#    T = float(input(\"Enter the Temperature of system in K:\"))\n",
    "#    n = int(input(\"Enter number of elements : \"))\n",
    "    T = 313.15\n",
    "    n = 1\n",
    "    import numpy as np\n",
    "    import math\n",
    "    import array as arr\n",
    "    import random\n",
    "    print(\"Enter value of X1\")  \n",
    "    \n",
    "#    X1 = [0.198,0.297,0.396,0.498,0.597,0.699,0.802,0.831,0.862,0.892,0.922,0.953,0.984]\n",
    "    X1 = arr.array('f',[])\n",
    "    X2 = arr.array('f',[])\n",
    "    y1 = arr.array('f',[])\n",
    "    y2 = arr.array('f',[])\n",
    "    Pfinal = arr.array('f',[])\n",
    "    \n",
    "    for i in range(0,n):\n",
    "        x1 = float(input())\n",
    "        X1.append(x1)\n",
    "    for i in range(len(X1)):\n",
    "        x2 = 1 - X1[i]\n",
    "        X2.append(x2)\n",
    "    \n",
    "    # Antoine Equation constant for Carbon-di-oxide (1) from NIST\n",
    "    A1 = 6.81228\n",
    "    B1 = 1301.679\n",
    "    C1 = -3.494\n",
    "    \n",
    "    # Antoine Equation constant for Ethanol (2) from NIST\n",
    "    if T >=259.16 and T <=507.60:\n",
    "        A2 =  4.42448\n",
    "        B2 = 1312.253\n",
    "        C2 = -32.445\n",
    "    \n",
    "    P1sat = 100000 * (10**((A1)-((B1)/(T + C1)))) # Converting P from bar to Pa\n",
    "    P2sat = 100000 * (10**((A2)-((B2)/(T + C2)))) #Converting P from bar to Pa\n",
    "    \n",
    "    #Critical Constants for Carbon-di-oxide (1) from 4.chiu paper\n",
    "    Tc_1 = 304.1 # in K\n",
    "    Pc_1 = 7.38 # in MPa\n",
    "    omega_1 = 0.225\n",
    "    \n",
    "    #Critical Constants for Ethanol (2) from 4.chiu paper\n",
    "    Tc_2 = 508.2 # in K\n",
    "    Pc_2 = 4.8 # in MPa\n",
    "    omega_2 = 0.304 \n",
    "    \n",
    "    #Calculating pure component EOS constants\n",
    "    a1,b1,alpha1,a2,b2,alpha2 = EOS_constant(Tc_1,Pc_1,omega_1,Tc_2,Pc_1,omega_2,T)\n",
    "    \n",
    "    #print(\"Value of a1 is :\",a1)\n",
    "    #print(\"Value of b1 is :\",b1)\n",
    "    #print(\"Value of a2 is :\",a2)\n",
    "    #print(\"Value of b2 is :\",b2)\n",
    "    \n",
    "    initial_while_loop = 0\n",
    "    more_while_loop = 0\n",
    "    less_while_loop = 0\n",
    "    \n",
    "    for i in range(0,len(X1)):\n",
    "        \n",
    "        P_initial,Y1_initial,Y2_initial = initial_guess(T,X1[i],X2[i],P1sat,P2sat) #step 1 of algorithm strts\n",
    "        Ysum = Y1_initial + Y2_initial\n",
    "        print(\"Initial guess P is:\",P_initial)\n",
    "        print(\"Roults law Y1 is :\",Y1_initial)\n",
    "        print(\"Roults law Y2 is :\",Y2_initial)\n",
    "        print(\"Roults law Ysum is :\",Ysum)\n",
    "        \n",
    "        Ysum = 0.5\n",
    "        P = P_initial\n",
    "        Y1 = Y1_initial\n",
    "        Y2 = Y2_initial #Step 1 of algorithm ends\n",
    "        \n",
    "        #step 2 of algorithm starts\n",
    "        \n",
    "        a_alpha_mix_x,bmix_x,a11x,a12x,a21x,a22x,b11x,b12x,b21x,b22x = mixingrule(a1,b1,alpha1,a2,b2,alpha2,X1[i],X2[i],T)\n",
    "        a_alpha_mix_y,bmix_y,a11y,a12y,a21y,a22y,b11y,b12y,b21y,b22y = mixingrule(a1,b1,alpha1,a2,b2,alpha2,Y1,Y2,T)\n",
    "                \n",
    "        #print(\"Value of a_alpha_mix_x is :\",a_alpha_mix_x)\n",
    "        #print(\"Value of bmix_x is :\",bmix_x)\n",
    "        #print(\"Value of a_alpha_mix_y is :\",a_alpha_mix_y)\n",
    "        #print(\"Value of bmix_y is :\",bmix_y)\n",
    "                \n",
    "        V_y_mix = Vycal(P,T,a_alpha_mix_y,bmix_y)\n",
    "        V_x_mix = Vxcal(P,T,a_alpha_mix_x,bmix_x,V_y_mix)\n",
    "                \n",
    "        #print(\"Value of V_y_mix is :\",V_y_mix)\n",
    "        #print(\"Value of V_x_mix is :\",V_x_mix)\n",
    "                \n",
    "        Z_x = Zcal(P,V_x_mix,T)\n",
    "        Z_y = Zcal(P,V_y_mix,T)\n",
    "                \n",
    "        #print(\"Value of Z_x is :\",Z_x)\n",
    "        #print(\"Value of Z_y is :\",Z_y)\n",
    "                \n",
    "        phi_1_x,phi_2_x = Phical(a11x,a12x,a21x,a22x,b1,b2,bmix_x,Z_x,V_x_mix,X1[i],X2[i],a_alpha_mix_x)\n",
    "        phi_1_y,phi_2_y = Phical(a11y,a12y,a21y,a22y,b1,b2,bmix_y,Z_y,V_y_mix,Y1,Y2,a_alpha_mix_y)\n",
    "                \n",
    "        #print(\"Value of phi1 in liquid is :\",phi_1_x)\n",
    "        #print(\"Value of phi2 in liquid is :\",phi_2_x)\n",
    "        #print(\"Value of phi1 in vapor is :\",phi_1_y)\n",
    "        #print(\"Value of phi2 in vapor is :\",phi_2_y)\n",
    "                \n",
    "        K1,K2 = Kcal(phi_1_x,phi_2_x,phi_1_y,phi_2_y)\n",
    "                \n",
    "        Y1,Y2,Sum_Kx_old = kixi(K1,K2,X1[i],X2[i])\n",
    "        print(\"K1 initial is :\",K1)\n",
    "        print(\"K2 initial is :\",K2)\n",
    "        print(\"Y1 initial is :\",Y1)\n",
    "        print(\"Y2 initial is :\",Y2)\n",
    "        \n",
    "        diff = 0.5 # diff in summation kixi\n",
    "        \n",
    "        #Step 2 of algorithm ends\n",
    "        \n",
    "        while diff > 0.001:\n",
    "            \n",
    "            print(\"Here while of initial guess stats\")\n",
    "            \n",
    "            a_alpha_mix_x,bmix_x,a11x,a12x,a21x,a22x,b11x,b12x,b21x,b22x = mixingrule(a1,b1,alpha1,a2,b2,alpha2,X1[i],X2[i],T)\n",
    "            a_alpha_mix_y,bmix_y,a11y,a12y,a21y,a22y,b11y,b12y,b21y,b22y = mixingrule(a1,b1,alpha1,a2,b2,alpha2,Y1,Y2,T)\n",
    "                \n",
    "            #print(\"Value of a_alpha_mix_x is :\",a_alpha_mix_x)\n",
    "            #print(\"Value of bmix_x is :\",bmix_x)\n",
    "            #print(\"Value of a_alpha_mix_y is :\",a_alpha_mix_y)\n",
    "            #print(\"Value of bmix_y is :\",bmix_y)\n",
    "                \n",
    "            V_y_mix = Vycal(P,T,a_alpha_mix_y,bmix_y)\n",
    "            V_x_mix = Vxcal(P,T,a_alpha_mix_x,bmix_x,V_y_mix)\n",
    "                \n",
    "            #print(\"Value of V_y_mix is :\",V_y_mix)\n",
    "            #print(\"Value of V_x_mix is :\",V_x_mix)\n",
    "                \n",
    "            Z_x = Zcal(P,V_x_mix,T)\n",
    "            Z_y = Zcal(P,V_y_mix,T)\n",
    "                \n",
    "            #print(\"Value of Z_x is :\",Z_x)\n",
    "            #print(\"Value of Z_y is :\",Z_y)\n",
    "                \n",
    "            phi_1_x,phi_2_x = Phical(a11x,a12x,a21x,a22x,b1,b2,bmix_x,Z_x,V_x_mix,X1[i],X2[i],a_alpha_mix_x)\n",
    "            phi_1_y,phi_2_y = Phical(a11y,a12y,a21y,a22y,b1,b2,bmix_y,Z_y,V_y_mix,Y1,Y2,a_alpha_mix_y)\n",
    "                \n",
    "            #print(\"Value of phi1 in liquid is :\",phi_1_x)\n",
    "            #print(\"Value of phi2 in liquid is :\",phi_2_x)\n",
    "            #print(\"Value of phi1 in vapor is :\",phi_1_y)\n",
    "            #print(\"Value of phi2 in vapor is :\",phi_2_y)\n",
    "                \n",
    "            K1,K2 = Kcal(phi_1_x,phi_2_x,phi_1_y,phi_2_y)\n",
    "            \n",
    "            Y1,Y2,Sum_Kx_new = kixi(K1,K2,X1[i],X2[i])\n",
    "                \n",
    "            diff = abs(Sum_Kx_new - Sum_Kx_old)\n",
    "            print (\"diff in initial while loop is :\",diff)\n",
    "            \n",
    "            Sum_Kx_old = Sum_Kx_new\n",
    "            initial_while_loop = initial_while_loop + 1\n",
    "            Pfinal = P / 10000000 # Convertision from Pato Mpa\n",
    "            print(\"Initial while loop K1 value is :\",K1)\n",
    "            print(\"Initial while loop K2 value is :\",K2)\n",
    "            print(\"Initial while loop Y1 value is :\",Y1)\n",
    "            print(\"Initial while loop Y2 value is :\",Y2)\n",
    "            print(\"Initial while loop Pressure value is :\",Pfinal)\n",
    "            print(\"Initial while loop vaue is :\",initial_while_loop)\n",
    "            print(\"Initial while loop Sum_Kx_old value is :\",Sum_Kx_old)\n",
    "            print(\"Initial while loop Sum_Kx_new value is :\",Sum_Kx_new)\n",
    "                \n",
    "            \n",
    "        if Sum_Kx_new > 1:\n",
    "                \n",
    "            print(\"We aew in Sum_Kx_new > 1 loop\")\n",
    "            print(\"Initial while loop Sum_Kx_new value is :\",Sum_Kx_new)\n",
    "                \n",
    "            P = P * Sum_Kx_new\n",
    "            Y1 = (X1[i] * P1sat) / (P)\n",
    "            Y2 = (X2[i] * P2sat) / (P)\n",
    "                \n",
    "            a_alpha_mix_x,bmix_x,a11x,a12x,a21x,a22x,b11x,b12x,b21x,b22x = mixingrule(a1,b1,alpha1,a2,b2,alpha2,X1[i],X2[i],T)\n",
    "            a_alpha_mix_y,bmix_y,a11y,a12y,a21y,a22y,b11y,b12y,b21y,b22y = mixingrule(a1,b1,alpha1,a2,b2,alpha2,Y1,Y2,T)\n",
    "                \n",
    "            #print(\"Value of a_alpha_mix_x is :\",a_alpha_mix_x)\n",
    "            #print(\"Value of bmix_x is :\",bmix_x)\n",
    "            #print(\"Value of a_alpha_mix_y is :\",a_alpha_mix_y)\n",
    "            #print(\"Value of bmix_y is :\",bmix_y)\n",
    "                \n",
    "            V_y_mix = Vycal(P,T,a_alpha_mix_y,bmix_y)\n",
    "            V_x_mix = Vxcal(P,T,a_alpha_mix_x,bmix_x,V_y_mix)\n",
    "                \n",
    "            #print(\"Value of V_y_mix is :\",V_y_mix)\n",
    "            #print(\"Value of V_x_mix is :\",V_x_mix)\n",
    "                \n",
    "            Z_x = Zcal(P,V_x_mix,T)\n",
    "            Z_y = Zcal(P,V_y_mix,T)\n",
    "                \n",
    "            #print(\"Value of Z_x is :\",Z_x)\n",
    "            #print(\"Value of Z_y is :\",Z_y)\n",
    "                \n",
    "            phi_1_x,phi_2_x = Phical(a11x,a12x,a21x,a22x,b1,b2,bmix_x,Z_x,V_x_mix,X1[i],X2[i],a_alpha_mix_x)\n",
    "            phi_1_y,phi_2_y = Phical(a11y,a12y,a21y,a22y,b1,b2,bmix_y,Z_y,V_y_mix,Y1,Y2,a_alpha_mix_y)\n",
    "                \n",
    "            #print(\"Value of phi1 in liquid is :\",phi_1_x)\n",
    "            #print(\"Value of phi2 in liquid is :\",phi_2_x)\n",
    "            #print(\"Value of phi1 in vapor is :\",phi_1_y)\n",
    "            #print(\"Value of phi2 in vapor is :\",phi_2_y)\n",
    "                \n",
    "            K1,K2 = Kcal(phi_1_x,phi_2_x,phi_1_y,phi_2_y)\n",
    "                \n",
    "            Y1,Y2,Sum_Kx_old = kixi(K1,K2,X1[i],X2[i])\n",
    "            diff = 0.5\n",
    "                \n",
    "            while diff > 0.001:\n",
    "                    \n",
    "                print(\"Here while loop of Sum_Kx_new > 1 starts\")\n",
    "                    \n",
    "                a_alpha_mix_x,bmix_x,a11x,a12x,a21x,a22x,b11x,b12x,b21x,b22x = mixingrule(a1,b1,alpha1,a2,b2,alpha2,X1[i],X2[i],T)\n",
    "                a_alpha_mix_y,bmix_y,a11y,a12y,a21y,a22y,b11y,b12y,b21y,b22y = mixingrule(a1,b1,alpha1,a2,b2,alpha2,Y1,Y2,T)\n",
    "                    \n",
    "                #print(\"Value of a_alpha_mix_x is :\",a_alpha_mix_x)\n",
    "                #print(\"Value of bmix_x is :\",bmix_x)\n",
    "                #print(\"Value of a_alpha_mix_y is :\",a_alpha_mix_y)\n",
    "                #print(\"Value of bmix_y is :\",bmix_y)\n",
    "                    \n",
    "                V_y_mix = Vycal(P,T,a_alpha_mix_y,bmix_y)\n",
    "                V_x_mix = Vxcal(P,T,a_alpha_mix_x,bmix_x,V_y_mix)\n",
    "                    \n",
    "                #print(\"Value of V_y_mix is :\",V_y_mix)\n",
    "                #print(\"Value of V_x_mix is :\",V_x_mix)\n",
    "                    \n",
    "                Z_x = Zcal(P,V_x_mix,T)\n",
    "                Z_y = Zcal(P,V_y_mix,T)\n",
    "                    \n",
    "                #print(\"Value of Z_x is :\",Z_x)\n",
    "                #print(\"Value of Z_y is :\",Z_y)\n",
    "                    \n",
    "                phi_1_x,phi_2_x = Phical(a11x,a12x,a21x,a22x,b1,b2,bmix_x,Z_x,V_x_mix,X1[i],X2[i],a_alpha_mix_x)\n",
    "                phi_1_y,phi_2_y = Phical(a11y,a12y,a21y,a22y,b1,b2,bmix_y,Z_y,V_y_mix,Y1,Y2,a_alpha_mix_y)\n",
    "                    \n",
    "                #print(\"Value of phi1 in liquid is :\",phi_1_x)\n",
    "                #print(\"Value of phi2 in liquid is :\",phi_2_x)\n",
    "                #print(\"Value of phi1 in vapor is :\",phi_1_y)\n",
    "                #print(\"Value of phi2 in vapor is :\",phi_2_y)\n",
    "                    \n",
    "                K1,K2 = Kcal(phi_1_x,phi_2_x,phi_1_y,phi_2_y)\n",
    "                    \n",
    "                Y1,Y2,Sum_Kx_new = kixi(K1,K2,X1[i],X2[i])\n",
    "                    \n",
    "                diff = abs(Sum_Kx_new - Sum_Kx_old)\n",
    "                print (\"diff in while loop of Sum_Kx_new > 1 is :\",diff)\n",
    "                    \n",
    "                Sum_Kx_old = Sum_Kx_new\n",
    "                more_while_loop = more_while_loop + 1\n",
    "                print(\">>>>K1 in while loop of Sum_Kx_new > 1 is >>>>:\",K1)\n",
    "                print(\">>>>K2 in while loop of Sum_Kx_new > 1 is >>>>:\",K2)\n",
    "                print(\">>>>Y1 in while loop of Sum_Kx_new > 1 is >>>>:\",Y1)\n",
    "                print(\">>>>Y2 in while loop of Sum_Kx_new > 1 is >>>>:\",Y2)\n",
    "                print(\">>>>P in while loop of Sum_Kx_new > 1 is >>>>:\",Pfinal)\n",
    "                print(\">>>>more_while_loop in while loop of Sum_Kx_new > 1 is >>>>:\",more_while_loop)\n",
    "                print(\">>>>Sum_Kx_old in while loop of Sum_Kx_new > 1 is >>>>:\",Sum_Kx_old)\n",
    "                print(\">>>>Sum_Kx_new in while loop of Sum_Kx_new > 1 is >>>>:\",Sum_Kx_new)\n",
    "                    \n",
    "        if Sum_Kx_new < 1:\n",
    "            \n",
    "            print(\"We aew in Sum_Kx_new < 1 loop\")\n",
    "            print(\"Initial while loop Sum_Kx_new value is :\",Sum_Kx_new)\n",
    "                \n",
    "            P = P * Sum_Kx_new\n",
    "            Y1 = (X1[i] * P1sat) / (P)\n",
    "            Y2 = (X2[i] * P2sat) / (P)\n",
    "                \n",
    "            a_alpha_mix_x,bmix_x,a11x,a12x,a21x,a22x,b11x,b12x,b21x,b22x = mixingrule(a1,b1,alpha1,a2,b2,alpha2,X1[i],X2[i],T)\n",
    "            a_alpha_mix_y,bmix_y,a11y,a12y,a21y,a22y,b11y,b12y,b21y,b22y = mixingrule(a1,b1,alpha1,a2,b2,alpha2,Y1,Y2,T)\n",
    "                \n",
    "            #print(\"Value of a_alpha_mix_x is :\",a_alpha_mix_x)\n",
    "            #print(\"Value of bmix_x is :\",bmix_x)\n",
    "            #print(\"Value of a_alpha_mix_y is :\",a_alpha_mix_y)\n",
    "            #print(\"Value of bmix_y is :\",bmix_y)\n",
    "                \n",
    "            V_y_mix = Vycal(P,T,a_alpha_mix_y,bmix_y)\n",
    "            V_x_mix = Vxcal(P,T,a_alpha_mix_x,bmix_x,V_y_mix)\n",
    "                \n",
    "            #print(\"Value of V_y_mix is :\",V_y_mix)\n",
    "            #print(\"Value of V_x_mix is :\",V_x_mix)\n",
    "                \n",
    "            Z_x = Zcal(P,V_x_mix,T)\n",
    "            Z_y = Zcal(P,V_y_mix,T)\n",
    "                \n",
    "            #print(\"Value of Z_x is :\",Z_x)\n",
    "            #print(\"Value of Z_y is :\",Z_y)\n",
    "                \n",
    "            phi_1_x,phi_2_x = Phical(a11x,a12x,a21x,a22x,b1,b2,bmix_x,Z_x,V_x_mix,X1[i],X2[i],a_alpha_mix_x)\n",
    "            phi_1_y,phi_2_y = Phical(a11y,a12y,a21y,a22y,b1,b2,bmix_y,Z_y,V_y_mix,Y1,Y2,a_alpha_mix_y)\n",
    "                \n",
    "            #print(\"Value of phi1 in liquid is :\",phi_1_x)\n",
    "            #print(\"Value of phi2 in liquid is :\",phi_2_x)\n",
    "            #print(\"Value of phi1 in vapor is :\",phi_1_y)\n",
    "            #print(\"Value of phi2 in vapor is :\",phi_2_y)\n",
    "                \n",
    "            K1,K2 = Kcal(phi_1_x,phi_2_x,phi_1_y,phi_2_y)\n",
    "                \n",
    "            Y1,Y2,Sum_Kx_old = kixi(K1,K2,X1[i],X2[i])\n",
    "            diff = 0.5\n",
    "                \n",
    "            while diff > 0.001:\n",
    "                    \n",
    "                print(\"Here while loop of Sum_Kx_new < 1 starts : \")\n",
    "                    \n",
    "                a_alpha_mix_x,bmix_x,a11x,a12x,a21x,a22x,b11x,b12x,b21x,b22x = mixingrule(a1,b1,alpha1,a2,b2,alpha2,X1[i],X2[i],T)\n",
    "                a_alpha_mix_y,bmix_y,a11y,a12y,a21y,a22y,b11y,b12y,b21y,b22y = mixingrule(a1,b1,alpha1,a2,b2,alpha2,Y1,Y2,T)\n",
    "                    \n",
    "                #print(\"Value of a_alpha_mix_x is :\",a_alpha_mix_x)\n",
    "                #print(\"Value of bmix_x is :\",bmix_x)\n",
    "                #print(\"Value of a_alpha_mix_y is :\",a_alpha_mix_y)\n",
    "                #print(\"Value of bmix_y is :\",bmix_y)\n",
    "                    \n",
    "                V_y_mix = Vycal(P,T,a_alpha_mix_y,bmix_y)\n",
    "                V_x_mix = Vxcal(P,T,a_alpha_mix_x,bmix_x,V_y_mix)\n",
    "                    \n",
    "                #print(\"Value of V_y_mix is :\",V_y_mix)\n",
    "                #print(\"Value of V_x_mix is :\",V_x_mix)\n",
    "                    \n",
    "                Z_x = Zcal(P,V_x_mix,T)\n",
    "                Z_y = Zcal(P,V_y_mix,T)\n",
    "                    \n",
    "                #print(\"Value of Z_x is :\",Z_x)\n",
    "                #print(\"Value of Z_y is :\",Z_y)\n",
    "                    \n",
    "                phi_1_x,phi_2_x = Phical(a11x,a12x,a21x,a22x,b1,b2,bmix_x,Z_x,V_x_mix,X1[i],X2[i],a_alpha_mix_x)\n",
    "                phi_1_y,phi_2_y = Phical(a11y,a12y,a21y,a22y,b1,b2,bmix_y,Z_y,V_y_mix,Y1,Y2,a_alpha_mix_y)\n",
    "                    \n",
    "                #print(\"Value of phi1 in liquid is :\",phi_1_x)\n",
    "                #print(\"Value of phi2 in liquid is :\",phi_2_x)\n",
    "                #print(\"Value of phi1 in vapor is :\",phi_1_y)\n",
    "                #print(\"Value of phi2 in vapor is :\",phi_2_y)\n",
    "                    \n",
    "                K1,K2 = Kcal(phi_1_x,phi_2_x,phi_1_y,phi_2_y)\n",
    "                    \n",
    "                Y1,Y2,Sum_Kx_new = kixi(K1,K2,X1[i],X2[i])\n",
    "                    \n",
    "                diff = abs(Sum_Kx_new - Sum_Kx_old)\n",
    "                print (\"diff after is :\",diff)\n",
    "                    \n",
    "                Sum_Kx_old = Sum_Kx_new\n",
    "                less_while_loop = less_while_loop + 1\n",
    "                Pfinal = P / 10000000 # Convertision from Pato Mpa\n",
    "                print(\"<<<<<K1 in while loop of Sum_Kx_new < 1 is <<<<<:\",K1)\n",
    "                print(\"<<<<<K2 in while loop of Sum_Kx_new < 1 is <<<<<:\",K2)\n",
    "                print(\"<<<<<Y1 in while loop of Sum_Kx_new < 1 is <<<<<:\",Y1)\n",
    "                print(\"<<<<<Y2 in while loop of Sum_Kx_new < 1 is <<<<<:\",Y2)\n",
    "                print(\"<<<<<P in while loop of Sum_Kx_new < 1 is <<<<<:\",Pfinal)\n",
    "                print(\"<<<<<less_while_loop in while loop of Sum_Kx_new < 1 is <<<<<:\",less_while_loop)\n",
    "                    \n",
    "            \n",
    "        if Sum_Kx_new == 1:\n",
    "            Pfinal = P / 10000000 # Convertision from Pato Mpa\n",
    "            print(\"We aew in Sum_Kx_new = 1 loop\")\n",
    "            print(\"Initial while loop Sum_Kx_new value is :\",Sum_Kx_new)\n",
    "            print(\"Correct P is :\", Pfinal)\n",
    "            print(\"Correct Y1 is :\",Y1)\n",
    "            print(\"Correct Y2 is :\",Y2)\n",
    "\n",
    "            \n",
    "                    \n",
    "            \n",
    "    \n",
    "    \n",
    "    "
   ]
  },
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   "source": []
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   "cell_type": "code",
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