From 64d949698432e05f2a372d9edc859c5b9df1f438 Mon Sep 17 00:00:00 2001 From: kinitrupti Date: Fri, 12 May 2017 18:40:35 +0530 Subject: Revised list of TBCs --- ...iffusion_and_Reaction_in_Porous_Catalysts.ipynb | 303 --------------------- .../Sample_(chapter.ipynb | 247 +++++++++++++++++ .../Sample_(chapter_9).ipynb | 247 ----------------- ...hapter_4_Diffusion_and_Reaction_in_Porous.ipynb | 303 +++++++++++++++++++++ 4 files changed, 550 insertions(+), 550 deletions(-) delete mode 100755 sample_notebooks/marupeddisameer chaitanya/Chapter_4_Diffusion_and_Reaction_in_Porous_Catalysts.ipynb create mode 100755 sample_notebooks/marupeddisameer chaitanya/Sample_(chapter.ipynb delete mode 100755 sample_notebooks/marupeddisameer chaitanya/Sample_(chapter_9).ipynb create mode 100755 sample_notebooks/marupeddisameer chaitanya/marupeddisameer chaitanya_version_backup/Chapter_4_Diffusion_and_Reaction_in_Porous.ipynb (limited to 'sample_notebooks/marupeddisameer chaitanya') diff --git a/sample_notebooks/marupeddisameer chaitanya/Chapter_4_Diffusion_and_Reaction_in_Porous_Catalysts.ipynb b/sample_notebooks/marupeddisameer chaitanya/Chapter_4_Diffusion_and_Reaction_in_Porous_Catalysts.ipynb deleted file mode 100755 index a01d0a9f..00000000 --- a/sample_notebooks/marupeddisameer chaitanya/Chapter_4_Diffusion_and_Reaction_in_Porous_Catalysts.ipynb +++ /dev/null @@ -1,303 +0,0 @@ -{ - "cells": [ - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "# Chapter 4 Diffusion and Reaction in Porous Catalysts" - ] - }, - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "## Example 4_1 pgno:135" - ] - }, - { - "cell_type": "code", - "execution_count": 1, - "metadata": { - "collapsed": false - }, - "outputs": [ - { - "name": "stdout", - "output_type": "stream", - "text": [ - "\n", - " OUTPUT Ex4.1.a\n", - "\n", - "=================================================\n", - "\n", - "The predicted diffusivity of Chlorine is cm2/s 0.00217149494706\n", - "\n", - "\n", - " OUTPUT Ex4.1.b\n", - "\n", - "=================================================\n", - "\n", - "The tortusity value = 1.25277093159\n", - "\n", - "\n", - " OUTPUT Ex4.1.b\n", - "\n", - "=================================================\n", - "\n", - "The Effective diffusivity of Chlorine K a atm = cm2/sec 573.0 15.0 1.83302312261e-09\n" - ] - } - ], - "source": [ - "#Harriot P.,2003,Chemical Reactor Design (I-Edition) Marcel Dekker,Inc.,USA,pp 436.\n", - "#Chapter-4 Ex4.1 Pg No. 135\n", - "#Title:Diffusivity of Chlorine and tortuosity in catalyst pellet\n", - "#===========================================================================================================\n", - "# COMMON INPUT \n", - "S_g=235.;#Total surface per gram (m2/g)\n", - "V_g=0.29E-6;#Pore volume per gram (cm3/g)\n", - "rho_p=1.41;#Density of particle (g/cm3)\n", - "D_He=0.0065;#Effective diffusivity of He (cm2/sec)\n", - "D_AB=0.73;# at 1atm and 298K\n", - "M_He=4.;#Molecular weight of He\n", - "M_Cl2=70.09;#Molecular weight of Cl2\n", - "T_ref=293;#Reference temperature\n", - "T_degC=300.;\n", - "T_01=T_degC+273;#Reaction temperature(K) (Ex4.1.a)\n", - "T_02=298.;#Operating temperature (Ex4.1.b)\n", - "T_03=573.;#operating temperature (Ex4.1.c)\n", - "P_ref=1;#Reference pressure\n", - "D_Cl2_CH4=0.15;#at 1atm 273K\n", - "P=15.;#operating pressure \n", - "#tau=1.25;#From value calculated in Ex4.1.b Pg. No. 136\n", - "from math import sqrt\n", - "\n", - "\n", - "#CALCULATION (Ex4.1.a)\n", - "r_bar=2*V_g/S_g;#Mean Pore radius\n", - "D_Cl2_Ex_a=D_He*((M_He/M_Cl2)*(T_01/T_ref))**(0.5);#Assuming Knudsen flow at 573K\n", - "\n", - "#CALCULATION (Ex4.1.b)\n", - "r_bar=2.*V_g*(10**6)/(S_g *(10**4));\n", - "D_K=9700.*(r_bar)*(T_ref/M_He)**(0.5);#Knudsen flow\n", - "D_AB1=D_AB*(293./298.)**(1.7)# at 1.5 atm and 293K\n", - "D_pore=1./((1./D_K)+(1./D_AB1));#pore diffusion\n", - "Epsilon=V_g*rho_p*(10**6);\n", - "tau=(D_pore*Epsilon)/D_He;#Tortusity\n", - "\n", - "#CALCULATION (Ex4.1.c)\n", - "D_Cl2_CH4_new=D_Cl2_CH4*(P_ref/P)*(T_03/T_ref)**(1.7);\n", - "D_K_Cl2=9700*r_bar*sqrt(T_03/M_Cl2);\n", - "D_pore=1/((1/D_Cl2_CH4_new)+(1/D_K_Cl2));\n", - "Epsilon=V_g*rho_p;\n", - "D_Cl2_Ex_c=D_pore*Epsilon/tau;\n", - "\n", - "\n", - "#OUTPUT\n", - "print '\\n OUTPUT Ex4.1.a'\n", - "print '\\n================================================='\n", - "print '\\nThe predicted diffusivity of Chlorine is cm2/s ',D_Cl2_Ex_a\n", - "print '\\n\\n OUTPUT Ex4.1.b'\n", - "print '\\n================================================='\n", - "print '\\nThe tortusity value = ',tau\n", - "print '\\n\\n OUTPUT Ex4.1.b'\n", - "print '\\n================================================='\n", - "print '\\nThe Effective diffusivity of Chlorine K a atm = cm2/sec ',T_03, P, D_Cl2_Ex_c\n", - "\n", - "\n" - ] - }, - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "## Example 4_2 pgno:140" - ] - }, - { - "cell_type": "code", - "execution_count": 2, - "metadata": { - "collapsed": false - }, - "outputs": [ - { - "name": "stdout", - "output_type": "stream", - "text": [ - "\n", - " OUTPUT Ex4.2.a\n", - "\n", - "=================================================\n", - "\n", - " The effective diffusivity of O2 in air = cm2/s 0.0235933499021\n", - "\n", - "\n", - " OUTPUT Ex4.2.b\n", - "\n", - "=================================================\n", - "\n", - " The calculated surface mean pore radius = cm 6e-07\n", - "\n", - " The predicted pore diffusivity = cm2/sec 0.0218264089105\n", - "\n", - " The corresponding tortusity = 0.499558598529\n" - ] - } - ], - "source": [ - "#Harriot P.,2003,Chemical Reactor Design (I-Edition) Marcel Dekker,Inc.,USA,pp 436.\n", - "#Chapter-4 Ex4.2 Pg No. 140\n", - "#Title:Effective diffusivity of O2 in air\n", - "#============================================================================================================\n", - "\n", - "# COMMON INPUT\n", - "S_g=150.;#Total surface per gram (m2/g)\n", - "V_g=0.45;#Pore volume per gram (cm3/g)\n", - "V_i=0.30;#Micropore volume per gram (cm3/g)\n", - "V_a=0.15;# Macropore volume per gram (cm3/g)\n", - "rho_P=1.2;#Density of particle (g/cm3)\n", - "tau=2.5;# Tortusity\n", - "r_bar_i=40*(10**(-8));#Micropore radius\n", - "r_bar_a=2000*(10**(-8));#Macropore radius\n", - "D_AB=0.49;#For N2O2 at 1 atm (cm2/s)\n", - "M_O2=32.;#Molecular weight of O2\n", - "T=493.;#Opereating Temperature (K)\n", - "from math import sqrt\n", - "\n", - "\n", - "\n", - "#CALCULATION (Ex4.2.a)\n", - "Epsilon=V_g*rho_P;\n", - "D_K_i=9700*(r_bar_i)*sqrt(T/M_O2);#Knudsen flow for micropore\n", - "D_Pore_i=1/((1/D_K_i)+(1/D_AB))\n", - "D_K_a=9700*(r_bar_a)*sqrt(T/M_O2);\n", - "D_Pore_a=1/((1/D_K_a)+(1/D_AB));##Knudsen flow for macropore\n", - "D_Pore_Avg=(V_i*D_Pore_i+V_a*D_Pore_a)/(V_i+V_a);\n", - "D_e=Epsilon*D_Pore_Avg/tau;\n", - "\n", - "#CALCULATION (Ex4.2.b)\n", - "Epsilon=V_g*rho_P;\n", - "r_bar=2*V_g/(S_g*10**4);\n", - "D_K=9700*(r_bar)*sqrt(T/M_O2);#Knudsen Flow\n", - "D_Pore=1/((1/D_K)+(1/D_AB));\n", - "tau=D_Pore*Epsilon/D_e;\n", - "\n", - "#OUTPUT\n", - "print '\\n OUTPUT Ex4.2.a'\n", - "print '\\n================================================='\n", - "print '\\n The effective diffusivity of O2 in air = cm2/s',D_e \n", - "print '\\n\\n OUTPUT Ex4.2.b'\n", - "print '\\n================================================='\n", - "print '\\n The calculated surface mean pore radius = cm',r_bar \n", - "print '\\n The predicted pore diffusivity = cm2/sec',D_Pore \n", - "print '\\n The corresponding tortusity = ',tau\n", - "\n", - "\n", - "\n", - "#======================================================END OF PROGRAM========================================\n" - ] - }, - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "## Example 4_4 pgno:157" - ] - }, - { - "cell_type": "code", - "execution_count": 3, - "metadata": { - "collapsed": false - }, - "outputs": [ - { - "name": "stdout", - "output_type": "stream", - "text": [ - "\tBased on average pressures calculated Rate and Effectiveness factor\n", - "\n", - "\t r : (mol/s cm3) 1.17056498924e-05\n", - "\n", - "\t eta_calc : 0.174804371726\n", - "\n", - " The actual value of Effectiveness factor eta_actual : 0.427402185863\n" - ] - } - ], - "source": [ - "#Harriot P.,2003,Chemical Reactor Design (I-Edition) Marcel Dekker,Inc. USA,pp 436.\n", - "#Chapter-4 Ex4.4 Pg No.157\n", - "#Title: Effectiveness factor for solid catalyzed reaction\n", - "#======================================================================================================================\n", - "\n", - "#INPUT\n", - "D_e_A=0.02;#(cm2/s)\n", - "D_e_B=0.03;#(cm2/s)\n", - "D_e_C=0.015;#(cm2/s)\n", - "X_f_A=0.3;\n", - "X_f_B=(1-X_f_A);\n", - "eta_assumed=0.68;#Effectiveness factor from Fig.4.8 for first order reaction\n", - "T=150.;#(deg C)\n", - "T_K=T+273;#(K)\n", - "r=0.3;#(cm)Radius of catalyst sphere\n", - "P_opt=4.;#(atm)Operating Pressure \n", - "R=82.056;#(cm3 atm/K mol)Gas constant \n", - "\n", - "\n", - "#CALCULATION\n", - "#Kinetic equation r= (2.5*10**-5*P_A*P_B)/(1+0.1*P_A+2*P_C)**2\n", - "P_A=X_f_A*P_opt;\n", - "P_B=X_f_B*P_opt;\n", - "r_star=(2.5*10**-5*P_A*P_B)/(1+0.1*P_A)**2;\n", - "C_A=P_A/(R*T_K);\n", - "k=r_star/C_A;\n", - "Phi= r*(k/D_e_A)**(0.5);\n", - "P_A_bar=eta_assumed*P_A;\n", - "delta_P_A=P_A*(1-eta_assumed);\n", - "delta_P_B=delta_P_A*(D_e_A/D_e_B);\n", - "P_B_bar=P_B-delta_P_B;\n", - "delta_P_C=delta_P_A*(D_e_A/D_e_C);\n", - "P_C_bar=delta_P_C;\n", - "r_calc=(2.5*10**-5*P_A_bar*P_B_bar)/(1+0.1*P_A_bar+2*P_C_bar)**2\n", - "eta_calc=r_calc/r_star;\n", - "eta_approx=(eta_calc+eta_assumed)/2;\n", - "\n", - "#OUTPUT\n", - "#Console Output\n", - "print'\\tBased on average pressures calculated Rate and Effectiveness factor'\n", - "print'\\n\\t r : (mol/s cm3)',r_calc\n", - "print'\\n\\t eta_calc : ',eta_calc\n", - "print'\\n The actual value of Effectiveness factor eta_actual :',eta_approx\n", - "\n", - "#================================================END OF PROGRAM==================================================================================\n", - "\n", - "\n", - "\n", - "\n" - ] - } - ], - "metadata": { - "kernelspec": { - "display_name": "Python 2", - "language": "python", - "name": "python2" - }, - "language_info": { - "codemirror_mode": { - "name": "ipython", - "version": 2 - }, - "file_extension": ".py", - "mimetype": "text/x-python", - "name": "python", - "nbconvert_exporter": "python", - "pygments_lexer": "ipython2", - "version": "2.7.9" - } - }, - "nbformat": 4, - "nbformat_minor": 0 -} diff --git a/sample_notebooks/marupeddisameer chaitanya/Sample_(chapter.ipynb b/sample_notebooks/marupeddisameer chaitanya/Sample_(chapter.ipynb new file mode 100755 index 00000000..bff5435f --- /dev/null +++ b/sample_notebooks/marupeddisameer chaitanya/Sample_(chapter.ipynb @@ -0,0 +1,247 @@ +{ + "cells": [ + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "# Chapter 9 : Theories of Mass Transfer" + ] + }, + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Example 9.1.1 pgno31" + ] + }, + { + "cell_type": "code", + "execution_count": 7, + "metadata": { + "collapsed": false + }, + "outputs": [ + { + "name": "stdout", + "output_type": "stream", + "text": [ + "The film thickness is cm 0.00765\n" + ] + } + ], + "source": [ + "#initialization of variables\n", + "p1 = 10. # pressure in atm\n", + "H = 600. # henrys constant in atm\n", + "c1 = 0 # gmol/cc\n", + "N1 = 2.3*10**-6 # mass flux in mol/cm**2-sec\n", + "c = 1./18. #total Concentration in g-mol/cc\n", + "D = 1.9*10**-5 # Diffusion co efficient in cm**2/sec\n", + "#Calculations\n", + "c1i = (p1/H)*c # Component concentration in gmol/cc\n", + "k = N1/(c1i-c1)#Mass transfer co efficient in cm/sec\n", + "l = D/k # Film thickness in cm\n", + "#Results\n", + "print\"The film thickness is cm\",round(l,5)\n", + "\n" + ] + }, + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Example 9.2.1 pgno:34" + ] + }, + { + "cell_type": "code", + "execution_count": 8, + "metadata": { + "collapsed": false + }, + "outputs": [ + { + "name": "stdout", + "output_type": "stream", + "text": [ + "The contact time sec 3.9\n", + "\n", + "The surface resident time sec 3.0\n" + ] + } + ], + "source": [ + "#initialization of variables\n", + "D = 1.9*10**-5 #Diffusion co efficient in cm**2/sec\n", + "k = 2.5*10**-3 # M.T.C in cm/sec\n", + "from math import pi\n", + "#Calculations\n", + "Lbyvmax = 4*D/((k**2)*pi)#sec\n", + "tou = D/k**2 # sec\n", + "#Results\n", + "print\"The contact time sec\",round(Lbyvmax,1)\n", + "print\"\\nThe surface resident time sec\",round(tou,1)\n" + ] + }, + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Example 9.3.1 pgno:35" + ] + }, + { + "cell_type": "code", + "execution_count": 9, + "metadata": { + "collapsed": false + }, + "outputs": [ + { + "name": "stdout", + "output_type": "stream", + "text": [ + "The apparent m.t.c for the first case is cm/sec 0.000379885493042\n", + "\n", + "The apparent m.t.c for the second case is cm/sec 0.000742723884992\n", + "\n", + "The apparent is proportional to the power of of the velocity 0.61\n" + ] + } + ], + "source": [ + "#initialization of variables\n", + "const = 0.5 # The part of flow in the system which bypasses the region where the mass transfer occurs\n", + "v1 = 1. # cm/sec\n", + "al = 10**3\n", + "k = 10**-3 # cm/sec\n", + "v2 = 3. # cm/sec\n", + "from math import log\n", + "from math import exp\n", + "#Calculations\n", + "C1byC10first = const + (1-const)*(exp(-k*al/v1))# c1/c10\n", + "appk1 = (v1/al)*(log(1/C1byC10first))# Apparent m.t.c for first case in cm/sec\n", + "C1byC10second = const + (1-const)*(exp(-((3)**0.5)*k*al/v2))#c1/c10 in second case\n", + "appk2 = (v2/al)*log(1/C1byC10second)# apparent m.t.c for second case in cm/sec\n", + "power = log(appk2/appk1)/log(v2/v1)\n", + "#Results\n", + "print\"The apparent m.t.c for the first case is cm/sec\",appk1\n", + "print\"\\nThe apparent m.t.c for the second case is cm/sec\",appk2\n", + "print\"\\nThe apparent is proportional to the power of of the velocity\",round(power,2)\n" + ] + }, + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Example 9.4.1 pgno:37" + ] + }, + { + "cell_type": "code", + "execution_count": 10, + "metadata": { + "collapsed": false + }, + "outputs": [ + { + "name": "stdout", + "output_type": "stream", + "text": [ + "The average mass transfer coefficient is cm/sec 0.000431530124388\n" + ] + } + ], + "source": [ + "#initialization of variables\n", + "D = 1*10**-5 #cm**2/sec\n", + "d = 2.3 # cm\n", + "L = 14 # cm\n", + "v0 = 6.1 # cm/sec\n", + "#gamma(4./3.)=0.8909512761;\n", + "#calculations\n", + "k = ((3**(1./3.))/(0.8909512761))*((D/d))*(((d**2)*v0/(D*L))**(1./3.))# cm/sec\n", + "#Results\n", + "print\"The average mass transfer coefficient is cm/sec\",k\n" + ] + }, + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Example 9.4.2 pgno:40" + ] + }, + { + "cell_type": "code", + "execution_count": 6, + "metadata": { + "collapsed": false + }, + "outputs": [ + { + "name": "stdout", + "output_type": "stream", + "text": [ + "The distance at which turbulent flow starts is cm 300.0\n", + "\n", + "The boundary layer for flow at this point is cm 300.0\n", + "\n", + "The boundary layer for concentration at this point is cm 300.0\n", + "\n", + "The local m.t.c at the leading edge and at the position of transistion is x10**-5 cm/sec 0.589714620247\n" + ] + } + ], + "source": [ + "#initialization of variables\n", + "tn = 300000 # turbulence number\n", + "v0 = 10 # cm/sec\n", + "p = 1 # g/cc\n", + "mu = 0.01 # g/cm-sec\n", + "delta = 2.5 #cm\n", + "D = 1*10**-5 # cm**2/sec\n", + "#Calculations\n", + "x = tn*mu/(v0*p)# cm\n", + "delta = ((280/13)**(1/2))*x*((mu/(x*v0*p))**(1/2))#cm\n", + "deltac = ((D*p/mu)**(1/3))*delta#cm\n", + "k = (0.323*(D/x)*((x*v0*p/mu)**0.5)*((mu/(p*D))**(1/3)))*10**5# x*10**-5 cm/sec\n", + "#Results\n", + "print\"The distance at which turbulent flow starts is cm\",x\n", + "print\"\\nThe boundary layer for flow at this point is cm\",delta\n", + "print\"\\nThe boundary layer for concentration at this point is cm\",deltac\n", + "print\"\\nThe local m.t.c at the leading edge and at the position of transistion is x10**-5 cm/sec\",k\n" + ] + }, + { + "cell_type": "code", + "execution_count": null, + "metadata": { + "collapsed": true + }, + "outputs": [], + "source": [] + } + ], + "metadata": { + "kernelspec": { + "display_name": "Python 2", + "language": "python", + "name": "python2" + }, + "language_info": { + "codemirror_mode": { + "name": "ipython", + "version": 2 + }, + "file_extension": ".py", + "mimetype": "text/x-python", + "name": "python", + "nbconvert_exporter": "python", + "pygments_lexer": "ipython2", + "version": "2.7.9" + } + }, + "nbformat": 4, + "nbformat_minor": 0 +} diff --git a/sample_notebooks/marupeddisameer chaitanya/Sample_(chapter_9).ipynb b/sample_notebooks/marupeddisameer chaitanya/Sample_(chapter_9).ipynb deleted file mode 100755 index bff5435f..00000000 --- a/sample_notebooks/marupeddisameer chaitanya/Sample_(chapter_9).ipynb +++ /dev/null @@ -1,247 +0,0 @@ -{ - "cells": [ - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "# Chapter 9 : Theories of Mass Transfer" - ] - }, - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "## Example 9.1.1 pgno31" - ] - }, - { - "cell_type": "code", - "execution_count": 7, - "metadata": { - "collapsed": false - }, - "outputs": [ - { - "name": "stdout", - "output_type": "stream", - "text": [ - "The film thickness is cm 0.00765\n" - ] - } - ], - "source": [ - "#initialization of variables\n", - "p1 = 10. # pressure in atm\n", - "H = 600. # henrys constant in atm\n", - "c1 = 0 # gmol/cc\n", - "N1 = 2.3*10**-6 # mass flux in mol/cm**2-sec\n", - "c = 1./18. #total Concentration in g-mol/cc\n", - "D = 1.9*10**-5 # Diffusion co efficient in cm**2/sec\n", - "#Calculations\n", - "c1i = (p1/H)*c # Component concentration in gmol/cc\n", - "k = N1/(c1i-c1)#Mass transfer co efficient in cm/sec\n", - "l = D/k # Film thickness in cm\n", - "#Results\n", - "print\"The film thickness is cm\",round(l,5)\n", - "\n" - ] - }, - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "## Example 9.2.1 pgno:34" - ] - }, - { - "cell_type": "code", - "execution_count": 8, - "metadata": { - "collapsed": false - }, - "outputs": [ - { - "name": "stdout", - "output_type": "stream", - "text": [ - "The contact time sec 3.9\n", - "\n", - "The surface resident time sec 3.0\n" - ] - } - ], - "source": [ - "#initialization of variables\n", - "D = 1.9*10**-5 #Diffusion co efficient in cm**2/sec\n", - "k = 2.5*10**-3 # M.T.C in cm/sec\n", - "from math import pi\n", - "#Calculations\n", - "Lbyvmax = 4*D/((k**2)*pi)#sec\n", - "tou = D/k**2 # sec\n", - "#Results\n", - "print\"The contact time sec\",round(Lbyvmax,1)\n", - "print\"\\nThe surface resident time sec\",round(tou,1)\n" - ] - }, - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "## Example 9.3.1 pgno:35" - ] - }, - { - "cell_type": "code", - "execution_count": 9, - "metadata": { - "collapsed": false - }, - "outputs": [ - { - "name": "stdout", - "output_type": "stream", - "text": [ - "The apparent m.t.c for the first case is cm/sec 0.000379885493042\n", - "\n", - "The apparent m.t.c for the second case is cm/sec 0.000742723884992\n", - "\n", - "The apparent is proportional to the power of of the velocity 0.61\n" - ] - } - ], - "source": [ - "#initialization of variables\n", - "const = 0.5 # The part of flow in the system which bypasses the region where the mass transfer occurs\n", - "v1 = 1. # cm/sec\n", - "al = 10**3\n", - "k = 10**-3 # cm/sec\n", - "v2 = 3. # cm/sec\n", - "from math import log\n", - "from math import exp\n", - "#Calculations\n", - "C1byC10first = const + (1-const)*(exp(-k*al/v1))# c1/c10\n", - "appk1 = (v1/al)*(log(1/C1byC10first))# Apparent m.t.c for first case in cm/sec\n", - "C1byC10second = const + (1-const)*(exp(-((3)**0.5)*k*al/v2))#c1/c10 in second case\n", - "appk2 = (v2/al)*log(1/C1byC10second)# apparent m.t.c for second case in cm/sec\n", - "power = log(appk2/appk1)/log(v2/v1)\n", - "#Results\n", - "print\"The apparent m.t.c for the first case is cm/sec\",appk1\n", - "print\"\\nThe apparent m.t.c for the second case is cm/sec\",appk2\n", - "print\"\\nThe apparent is proportional to the power of of the velocity\",round(power,2)\n" - ] - }, - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "## Example 9.4.1 pgno:37" - ] - }, - { - "cell_type": "code", - "execution_count": 10, - "metadata": { - "collapsed": false - }, - "outputs": [ - { - "name": "stdout", - "output_type": "stream", - "text": [ - "The average mass transfer coefficient is cm/sec 0.000431530124388\n" - ] - } - ], - "source": [ - "#initialization of variables\n", - "D = 1*10**-5 #cm**2/sec\n", - "d = 2.3 # cm\n", - "L = 14 # cm\n", - "v0 = 6.1 # cm/sec\n", - "#gamma(4./3.)=0.8909512761;\n", - "#calculations\n", - "k = ((3**(1./3.))/(0.8909512761))*((D/d))*(((d**2)*v0/(D*L))**(1./3.))# cm/sec\n", - "#Results\n", - "print\"The average mass transfer coefficient is cm/sec\",k\n" - ] - }, - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "## Example 9.4.2 pgno:40" - ] - }, - { - "cell_type": "code", - "execution_count": 6, - "metadata": { - "collapsed": false - }, - "outputs": [ - { - "name": "stdout", - "output_type": "stream", - "text": [ - "The distance at which turbulent flow starts is cm 300.0\n", - "\n", - "The boundary layer for flow at this point is cm 300.0\n", - "\n", - "The boundary layer for concentration at this point is cm 300.0\n", - "\n", - "The local m.t.c at the leading edge and at the position of transistion is x10**-5 cm/sec 0.589714620247\n" - ] - } - ], - "source": [ - "#initialization of variables\n", - "tn = 300000 # turbulence number\n", - "v0 = 10 # cm/sec\n", - "p = 1 # g/cc\n", - "mu = 0.01 # g/cm-sec\n", - "delta = 2.5 #cm\n", - "D = 1*10**-5 # cm**2/sec\n", - "#Calculations\n", - "x = tn*mu/(v0*p)# cm\n", - "delta = ((280/13)**(1/2))*x*((mu/(x*v0*p))**(1/2))#cm\n", - "deltac = ((D*p/mu)**(1/3))*delta#cm\n", - "k = (0.323*(D/x)*((x*v0*p/mu)**0.5)*((mu/(p*D))**(1/3)))*10**5# x*10**-5 cm/sec\n", - "#Results\n", - "print\"The distance at which turbulent flow starts is cm\",x\n", - "print\"\\nThe boundary layer for flow at this point is cm\",delta\n", - "print\"\\nThe boundary layer for concentration at this point is cm\",deltac\n", - "print\"\\nThe local m.t.c at the leading edge and at the position of transistion is x10**-5 cm/sec\",k\n" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "metadata": { - "collapsed": true - }, - "outputs": [], - "source": [] - } - ], - "metadata": { - "kernelspec": { - "display_name": "Python 2", - "language": "python", - "name": "python2" - }, - "language_info": { - "codemirror_mode": { - "name": "ipython", - "version": 2 - }, - "file_extension": ".py", - "mimetype": "text/x-python", - "name": "python", - "nbconvert_exporter": "python", - "pygments_lexer": "ipython2", - "version": "2.7.9" - } - }, - "nbformat": 4, - "nbformat_minor": 0 -} diff --git a/sample_notebooks/marupeddisameer chaitanya/marupeddisameer chaitanya_version_backup/Chapter_4_Diffusion_and_Reaction_in_Porous.ipynb b/sample_notebooks/marupeddisameer chaitanya/marupeddisameer chaitanya_version_backup/Chapter_4_Diffusion_and_Reaction_in_Porous.ipynb new file mode 100755 index 00000000..a01d0a9f --- /dev/null +++ b/sample_notebooks/marupeddisameer chaitanya/marupeddisameer chaitanya_version_backup/Chapter_4_Diffusion_and_Reaction_in_Porous.ipynb @@ -0,0 +1,303 @@ +{ + "cells": [ + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "# Chapter 4 Diffusion and Reaction in Porous Catalysts" + ] + }, + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Example 4_1 pgno:135" + ] + }, + { + "cell_type": "code", + "execution_count": 1, + "metadata": { + "collapsed": false + }, + "outputs": [ + { + "name": "stdout", + "output_type": "stream", + "text": [ + "\n", + " OUTPUT Ex4.1.a\n", + "\n", + "=================================================\n", + "\n", + "The predicted diffusivity of Chlorine is cm2/s 0.00217149494706\n", + "\n", + "\n", + " OUTPUT Ex4.1.b\n", + "\n", + "=================================================\n", + "\n", + "The tortusity value = 1.25277093159\n", + "\n", + "\n", + " OUTPUT Ex4.1.b\n", + "\n", + "=================================================\n", + "\n", + "The Effective diffusivity of Chlorine K a atm = cm2/sec 573.0 15.0 1.83302312261e-09\n" + ] + } + ], + "source": [ + "#Harriot P.,2003,Chemical Reactor Design (I-Edition) Marcel Dekker,Inc.,USA,pp 436.\n", + "#Chapter-4 Ex4.1 Pg No. 135\n", + "#Title:Diffusivity of Chlorine and tortuosity in catalyst pellet\n", + "#===========================================================================================================\n", + "# COMMON INPUT \n", + "S_g=235.;#Total surface per gram (m2/g)\n", + "V_g=0.29E-6;#Pore volume per gram (cm3/g)\n", + "rho_p=1.41;#Density of particle (g/cm3)\n", + "D_He=0.0065;#Effective diffusivity of He (cm2/sec)\n", + "D_AB=0.73;# at 1atm and 298K\n", + "M_He=4.;#Molecular weight of He\n", + "M_Cl2=70.09;#Molecular weight of Cl2\n", + "T_ref=293;#Reference temperature\n", + "T_degC=300.;\n", + "T_01=T_degC+273;#Reaction temperature(K) (Ex4.1.a)\n", + "T_02=298.;#Operating temperature (Ex4.1.b)\n", + "T_03=573.;#operating temperature (Ex4.1.c)\n", + "P_ref=1;#Reference pressure\n", + "D_Cl2_CH4=0.15;#at 1atm 273K\n", + "P=15.;#operating pressure \n", + "#tau=1.25;#From value calculated in Ex4.1.b Pg. No. 136\n", + "from math import sqrt\n", + "\n", + "\n", + "#CALCULATION (Ex4.1.a)\n", + "r_bar=2*V_g/S_g;#Mean Pore radius\n", + "D_Cl2_Ex_a=D_He*((M_He/M_Cl2)*(T_01/T_ref))**(0.5);#Assuming Knudsen flow at 573K\n", + "\n", + "#CALCULATION (Ex4.1.b)\n", + "r_bar=2.*V_g*(10**6)/(S_g *(10**4));\n", + "D_K=9700.*(r_bar)*(T_ref/M_He)**(0.5);#Knudsen flow\n", + "D_AB1=D_AB*(293./298.)**(1.7)# at 1.5 atm and 293K\n", + "D_pore=1./((1./D_K)+(1./D_AB1));#pore diffusion\n", + "Epsilon=V_g*rho_p*(10**6);\n", + "tau=(D_pore*Epsilon)/D_He;#Tortusity\n", + "\n", + "#CALCULATION (Ex4.1.c)\n", + "D_Cl2_CH4_new=D_Cl2_CH4*(P_ref/P)*(T_03/T_ref)**(1.7);\n", + "D_K_Cl2=9700*r_bar*sqrt(T_03/M_Cl2);\n", + "D_pore=1/((1/D_Cl2_CH4_new)+(1/D_K_Cl2));\n", + "Epsilon=V_g*rho_p;\n", + "D_Cl2_Ex_c=D_pore*Epsilon/tau;\n", + "\n", + "\n", + "#OUTPUT\n", + "print '\\n OUTPUT Ex4.1.a'\n", + "print '\\n================================================='\n", + "print '\\nThe predicted diffusivity of Chlorine is cm2/s ',D_Cl2_Ex_a\n", + "print '\\n\\n OUTPUT Ex4.1.b'\n", + "print '\\n================================================='\n", + "print '\\nThe tortusity value = ',tau\n", + "print '\\n\\n OUTPUT Ex4.1.b'\n", + "print '\\n================================================='\n", + "print '\\nThe Effective diffusivity of Chlorine K a atm = cm2/sec ',T_03, P, D_Cl2_Ex_c\n", + "\n", + "\n" + ] + }, + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Example 4_2 pgno:140" + ] + }, + { + "cell_type": "code", + "execution_count": 2, + "metadata": { + "collapsed": false + }, + "outputs": [ + { + "name": "stdout", + "output_type": "stream", + "text": [ + "\n", + " OUTPUT Ex4.2.a\n", + "\n", + "=================================================\n", + "\n", + " The effective diffusivity of O2 in air = cm2/s 0.0235933499021\n", + "\n", + "\n", + " OUTPUT Ex4.2.b\n", + "\n", + "=================================================\n", + "\n", + " The calculated surface mean pore radius = cm 6e-07\n", + "\n", + " The predicted pore diffusivity = cm2/sec 0.0218264089105\n", + "\n", + " The corresponding tortusity = 0.499558598529\n" + ] + } + ], + "source": [ + "#Harriot P.,2003,Chemical Reactor Design (I-Edition) Marcel Dekker,Inc.,USA,pp 436.\n", + "#Chapter-4 Ex4.2 Pg No. 140\n", + "#Title:Effective diffusivity of O2 in air\n", + "#============================================================================================================\n", + "\n", + "# COMMON INPUT\n", + "S_g=150.;#Total surface per gram (m2/g)\n", + "V_g=0.45;#Pore volume per gram (cm3/g)\n", + "V_i=0.30;#Micropore volume per gram (cm3/g)\n", + "V_a=0.15;# Macropore volume per gram (cm3/g)\n", + "rho_P=1.2;#Density of particle (g/cm3)\n", + "tau=2.5;# Tortusity\n", + "r_bar_i=40*(10**(-8));#Micropore radius\n", + "r_bar_a=2000*(10**(-8));#Macropore radius\n", + "D_AB=0.49;#For N2O2 at 1 atm (cm2/s)\n", + "M_O2=32.;#Molecular weight of O2\n", + "T=493.;#Opereating Temperature (K)\n", + "from math import sqrt\n", + "\n", + "\n", + "\n", + "#CALCULATION (Ex4.2.a)\n", + "Epsilon=V_g*rho_P;\n", + "D_K_i=9700*(r_bar_i)*sqrt(T/M_O2);#Knudsen flow for micropore\n", + "D_Pore_i=1/((1/D_K_i)+(1/D_AB))\n", + "D_K_a=9700*(r_bar_a)*sqrt(T/M_O2);\n", + "D_Pore_a=1/((1/D_K_a)+(1/D_AB));##Knudsen flow for macropore\n", + "D_Pore_Avg=(V_i*D_Pore_i+V_a*D_Pore_a)/(V_i+V_a);\n", + "D_e=Epsilon*D_Pore_Avg/tau;\n", + "\n", + "#CALCULATION (Ex4.2.b)\n", + "Epsilon=V_g*rho_P;\n", + "r_bar=2*V_g/(S_g*10**4);\n", + "D_K=9700*(r_bar)*sqrt(T/M_O2);#Knudsen Flow\n", + "D_Pore=1/((1/D_K)+(1/D_AB));\n", + "tau=D_Pore*Epsilon/D_e;\n", + "\n", + "#OUTPUT\n", + "print '\\n OUTPUT Ex4.2.a'\n", + "print '\\n================================================='\n", + "print '\\n The effective diffusivity of O2 in air = cm2/s',D_e \n", + "print '\\n\\n OUTPUT Ex4.2.b'\n", + "print '\\n================================================='\n", + "print '\\n The calculated surface mean pore radius = cm',r_bar \n", + "print '\\n The predicted pore diffusivity = cm2/sec',D_Pore \n", + "print '\\n The corresponding tortusity = ',tau\n", + "\n", + "\n", + "\n", + "#======================================================END OF PROGRAM========================================\n" + ] + }, + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Example 4_4 pgno:157" + ] + }, + { + "cell_type": "code", + "execution_count": 3, + "metadata": { + "collapsed": false + }, + "outputs": [ + { + "name": "stdout", + "output_type": "stream", + "text": [ + "\tBased on average pressures calculated Rate and Effectiveness factor\n", + "\n", + "\t r : (mol/s cm3) 1.17056498924e-05\n", + "\n", + "\t eta_calc : 0.174804371726\n", + "\n", + " The actual value of Effectiveness factor eta_actual : 0.427402185863\n" + ] + } + ], + "source": [ + "#Harriot P.,2003,Chemical Reactor Design (I-Edition) Marcel Dekker,Inc. USA,pp 436.\n", + "#Chapter-4 Ex4.4 Pg No.157\n", + "#Title: Effectiveness factor for solid catalyzed reaction\n", + "#======================================================================================================================\n", + "\n", + "#INPUT\n", + "D_e_A=0.02;#(cm2/s)\n", + "D_e_B=0.03;#(cm2/s)\n", + "D_e_C=0.015;#(cm2/s)\n", + "X_f_A=0.3;\n", + "X_f_B=(1-X_f_A);\n", + "eta_assumed=0.68;#Effectiveness factor from Fig.4.8 for first order reaction\n", + "T=150.;#(deg C)\n", + "T_K=T+273;#(K)\n", + "r=0.3;#(cm)Radius of catalyst sphere\n", + "P_opt=4.;#(atm)Operating Pressure \n", + "R=82.056;#(cm3 atm/K mol)Gas constant \n", + "\n", + "\n", + "#CALCULATION\n", + "#Kinetic equation r= (2.5*10**-5*P_A*P_B)/(1+0.1*P_A+2*P_C)**2\n", + "P_A=X_f_A*P_opt;\n", + "P_B=X_f_B*P_opt;\n", + "r_star=(2.5*10**-5*P_A*P_B)/(1+0.1*P_A)**2;\n", + "C_A=P_A/(R*T_K);\n", + "k=r_star/C_A;\n", + "Phi= r*(k/D_e_A)**(0.5);\n", + "P_A_bar=eta_assumed*P_A;\n", + "delta_P_A=P_A*(1-eta_assumed);\n", + "delta_P_B=delta_P_A*(D_e_A/D_e_B);\n", + "P_B_bar=P_B-delta_P_B;\n", + "delta_P_C=delta_P_A*(D_e_A/D_e_C);\n", + "P_C_bar=delta_P_C;\n", + "r_calc=(2.5*10**-5*P_A_bar*P_B_bar)/(1+0.1*P_A_bar+2*P_C_bar)**2\n", + "eta_calc=r_calc/r_star;\n", + "eta_approx=(eta_calc+eta_assumed)/2;\n", + "\n", + "#OUTPUT\n", + "#Console Output\n", + "print'\\tBased on average pressures calculated Rate and Effectiveness factor'\n", + "print'\\n\\t r : (mol/s cm3)',r_calc\n", + "print'\\n\\t eta_calc : ',eta_calc\n", + "print'\\n The actual value of Effectiveness factor eta_actual :',eta_approx\n", + "\n", + "#================================================END OF PROGRAM==================================================================================\n", + "\n", + "\n", + "\n", + "\n" + ] + } + ], + "metadata": { + "kernelspec": { + "display_name": "Python 2", + "language": "python", + "name": "python2" + }, + "language_info": { + "codemirror_mode": { + "name": "ipython", + "version": 2 + }, + "file_extension": ".py", + "mimetype": "text/x-python", + "name": "python", + "nbconvert_exporter": "python", + "pygments_lexer": "ipython2", + "version": "2.7.9" + } + }, + "nbformat": 4, + "nbformat_minor": 0 +} -- cgit