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author | Jovina Dsouza | 2014-06-18 12:43:07 +0530 |
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committer | Jovina Dsouza | 2014-06-18 12:43:07 +0530 |
commit | 206d0358703aa05d5d7315900fe1d054c2817ddc (patch) | |
tree | f2403e29f3aded0caf7a2434ea50dd507f6545e2 /Physical_And_Chemical_Equilibrium_For_Chemical_Engineers/ch15.ipynb | |
parent | c6f0d6aeb95beaf41e4b679e78bb42c4ffe45a40 (diff) | |
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diff --git a/Physical_And_Chemical_Equilibrium_For_Chemical_Engineers/ch15.ipynb b/Physical_And_Chemical_Equilibrium_For_Chemical_Engineers/ch15.ipynb new file mode 100644 index 00000000..3eab43ea --- /dev/null +++ b/Physical_And_Chemical_Equilibrium_For_Chemical_Engineers/ch15.ipynb @@ -0,0 +1,319 @@ +{ + "metadata": { + "name": "" + }, + "nbformat": 3, + "nbformat_minor": 0, + "worksheets": [ + { + "cells": [ + { + "cell_type": "heading", + "level": 1, + "metadata": {}, + "source": [ + "Chapter 15 : The Phase Rule" + ] + }, + { + "cell_type": "heading", + "level": 3, + "metadata": {}, + "source": [ + " Example 15.2 Page: 401" + ] + }, + { + "cell_type": "code", + "collapsed": false, + "input": [ + "# Calculate independent relations among these four species\n", + "\n", + "import math \n", + "\n", + "\n", + "# The system contains four species\n", + "print \" In this system there are four identifiable chemical species%(which are C,O2,CO2 and CO. The balanced equations we can write among them are\"\n", + "\n", + "print \" C + 0.5O2 = CO\"\n", + "print \" C + O2 = CO2\"\n", + "print \" CO + 0.5O2 = CO2\"\n", + "print \" CO2 + C = 2CO\"\n", + "\n", + "# Let we call these equations A, B, C and D respectively\n", + "# These relations are not independent.\n", + "# If we add A and C and cancel like terms, we obtain B.\n", + "# So, If we want independent chemical equilibria we must remove equation C\n", + "\n", + "# Now, if we reverse the direction of B and add it to A, we see that D is also not independent.\n", + "# Thus, there are only two independent relations among these four species and \n", + "print \" There are only two independent relations among these four species and\"\n", + "\n", + "# V = C + 2 - P\n", + "# and we have\n", + "V = 2# No of the variable\n", + "P = 2# No of the phases\n", + "# So\n", + "C = V + P - 2\n", + "print \" C = V + P - 2\"\n", + "print \" C = 4 - 2 = 2\"\n", + "print \" Thus, this is a two-component system\"\n" + ], + "language": "python", + "metadata": {}, + "outputs": [ + { + "output_type": "stream", + "stream": "stdout", + "text": [ + " In this system there are four identifiable chemical species%(which are C,O2,CO2 and CO. The balanced equations we can write among them are\n", + " C + 0.5O2 = CO\n", + " C + O2 = CO2\n", + " CO + 0.5O2 = CO2\n", + " CO2 + C = 2CO\n", + " There are only two independent relations among these four species and\n", + " C = V + P - 2\n", + " C = 4 - 2 = 2\n", + " Thus, this is a two-component system\n" + ] + } + ], + "prompt_number": 1 + }, + { + "cell_type": "heading", + "level": 3, + "metadata": {}, + "source": [ + " Example 15.3 Page: 402\n" + ] + }, + { + "cell_type": "code", + "collapsed": false, + "input": [ + "# Define Phase rule\n", + "\n", + "import math \n", + "\n", + "#***Data***#\n", + "# This contains three species.\n", + "print \" The three species in this system are H2 N2 and NH3\"\n", + "N = 3\n", + "print \" There is only one balanced chemical reaction among these species\"\n", + "Q = 1\n", + "\n", + "# 2NH3 = N2 + 3H2\n", + "C = N - Q\n", + "print \" C = N - Q = %0.0f\"%(C)\n", + "# Now let us we made the system by starting with pure ammonia.\n", + "# Assuming that all the species are in the gas phase, ammonia dissociates in H2 and N2 in the ratio of 3:1.\n", + "print \" Let we start with pure ammonia in the system then ammonia will dissociate in H2 and N2 in the ratio of 3:1.\"\n", + "\n", + "# We can write an equation among their mole fractions, viz\n", + "# y_H2 = 3*y_N2\n", + "print \" And the relation between their mole fraction is y_H2 = 3*y_N2\"\n", + "\n", + "# We might modify the phase rule to put in another symbol for stoichiometric restrictions, but the common usage is to write that \n", + "# Components = species - (independent reactions) - (stoichiometric restriction)\n", + "# and stoichiometric restriction SR is \n", + "SR = 1\n", + "# so\n", + "c = N-Q-SR\n", + "print \" We have the modified phase rule as Components = species - independent reactions - stoichiometric restriction\"\n", + "print \" C = N - Q - SR = %0.0f\"%(c)\n" + ], + "language": "python", + "metadata": {}, + "outputs": [ + { + "output_type": "stream", + "stream": "stdout", + "text": [ + " The three species in this system are H2 N2 and NH3\n", + " There is only one balanced chemical reaction among these species\n", + " C = N - Q = 2\n", + " Let we start with pure ammonia in the system then ammonia will dissociate in H2 and N2 in the ratio of 3:1.\n", + " And the relation between their mole fraction is y_H2 = 3*y_N2\n", + " We have the modified phase rule as Components = species - independent reactions - stoichiometric restriction\n", + " C = N - Q - SR = 1\n" + ] + } + ], + "prompt_number": 2 + }, + { + "cell_type": "heading", + "level": 3, + "metadata": {}, + "source": [ + " Example 15.4 Page: 403\n" + ] + }, + { + "cell_type": "code", + "collapsed": false, + "input": [ + "# Find number of the components present in the test tube\n", + "\n", + "import math \n", + "\n", + "#***Data***#\n", + "# We have been given the reaction \n", + "# CaCO3(s) = CaO(s) + CO2(g)\n", + "\n", + "# Here we have three species and one balanced chemical reaction between them\n", + "# So\n", + "N = 3# No of species\n", + "Q = 1 # no of reaction\n", + "\n", + "# Since CO2 will mostly be in the gas phase and CaCO3 and CaO will each form separate solid phases, \n", + "# there is no equation we can write among the mole fractions in any of the phases.\n", + "# Hence, there is no stoichiometric restriction i.e.\n", + "SR = 0\n", + "# and the number of the components is\n", + "C = N - Q - SR\n", + "\n", + "print \"Number of the components presents in the test tube are %0.0f\"%(C)\n" + ], + "language": "python", + "metadata": {}, + "outputs": [ + { + "output_type": "stream", + "stream": "stdout", + "text": [ + "Number of the components presents in the test tube are 2\n" + ] + } + ], + "prompt_number": 3 + }, + { + "cell_type": "heading", + "level": 3, + "metadata": {}, + "source": [ + " Example 15.5 Page: 403\n" + ] + }, + { + "cell_type": "code", + "collapsed": false, + "input": [ + "'''\n", + "find\n", + "(a) How many phases are present?\n", + "(b) How many degrees of freedom are there?\n", + "(c) If we place a sample of pure CaCO 3 in an evacuated container and heat it, will we find a unique P-T curve?\n", + "'''\n", + "import math \n", + "\n", + "#***Data***#\n", + "# We have been given the reaction \n", + "# CaCO3(s) = CaO(s) + CO2(g)\n", + "# The CaCO3 and CaO form separate solid phases, so we have three phases, two solid and one gas. \n", + "# So\n", + "P = 3\n", + "# This is a two component system, so\n", + "C = 2\n", + "\n", + "# From the phase rule\n", + "V = C + 2 - P\n", + "\n", + "# If there is only one degree of freedom, then the system should have a unique P-T curve.\n", + "# Reference [ 2, page 214 ] as reported in the book, shows the data to draw such a curve, which can be well represented by\n", + "# math.log(p/torr) = 23.6193 - 19827/T\n", + "\n", + "print \" The no. of phases present in the system are %0.0f \"%(P)\n", + "print \" Total no of degrees of freedom is %0.0f \"%(V)\n", + "print \" Since there is only one degree of freedom so the system has a unique P-T curve\"\n", + "print \" which can be well represented by logp/torr = 23.6193 - 19827/T\"\n" + ], + "language": "python", + "metadata": {}, + "outputs": [ + { + "output_type": "stream", + "stream": "stdout", + "text": [ + " The no. of phases present in the system are 3 \n", + " Total no of degrees of freedom is 1 \n", + " Since there is only one degree of freedom so the system has a unique P-T curve\n", + " which can be well represented by logp/torr = 23.6193 - 19827/T\n" + ] + } + ], + "prompt_number": 4 + }, + { + "cell_type": "heading", + "level": 3, + "metadata": {}, + "source": [ + " Example 15.6 Page: 404\n" + ] + }, + { + "cell_type": "code", + "collapsed": false, + "input": [ + "# find number of components\n", + "\n", + "import math \n", + "\n", + "#***Data***#\n", + "# The system consists of five species.\n", + "print \" The five species present in the system are H2O%( HCl%( H+%( OH- and Cl-. \"\n", + "# So\n", + "N = 5 # Number of the species \n", + "print \" Here we have two chemical relations:\"\n", + "print \" H2O = H+ + OH- \"\n", + "print \" HCl = H+ + Cl- \"\n", + "\n", + "# so\n", + "Q = 2 # No of the reactions\n", + "\n", + "# In addition we have electroneutrality, which says that at equilibrium the total no of positive ions in the solution must be the same as the total no of nagative ions,or\n", + "# [H+] = [OH-] + [Cl-]\n", + "# To maintain electroneutrality number of positive and negative ion should be same.\n", + "# Here [H+] smath.radians(numpy.arcmath.tan(s for the molality of hydrogen ion. This is convertible to a relation among the 'mu's' hence,\n", + "# it is an additional restriction, so\n", + "SR = 1 \n", + "# So\n", + "# The number of components is\n", + "C = N - Q - SR\n", + "\n", + "print \" Number of the components present in the system are C = N - Q - SR = %0.0f\"%(C)\n", + "\n" + ], + "language": "python", + "metadata": {}, + "outputs": [ + { + "output_type": "stream", + "stream": "stdout", + "text": [ + " The five species present in the system are H2O%( HCl%( H+%( OH- and Cl-. \n", + " Here we have two chemical relations:\n", + " H2O = H+ + OH- \n", + " HCl = H+ + Cl- \n", + " Number of the components present in the system are C = N - Q - SR = 2\n" + ] + } + ], + "prompt_number": 5 + }, + { + "cell_type": "code", + "collapsed": false, + "input": [], + "language": "python", + "metadata": {}, + "outputs": [] + } + ], + "metadata": {} + } + ] +}
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