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+{
+ "cells": [
+ {
+ "cell_type": "markdown",
+ "metadata": {},
+ "source": [
+ "# Chapter4 Thermochemistry"
+ ]
+ },
+ {
+ "cell_type": "markdown",
+ "metadata": {},
+ "source": [
+ "## Example 4.1, Page no.14"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "execution_count": 2,
+ "metadata": {
+ "collapsed": false
+ },
+ "outputs": [
+ {
+ "name": "stdout",
+ "output_type": "stream",
+ "text": [
+ "heat absorbed= -1151.3 kcal moleˆ−1\n"
+ ]
+ }
+ ],
+ "source": [
+ "import math\n",
+ "#initialisation of variables\n",
+ "E= -1148.93 #in kcal moleˆ−1\n",
+ "R= 1.987 #cal moleˆ−1 Kˆ−1\n",
+ "T= 25 #in Celsius\n",
+ "n=4 \n",
+ "#CALCULATIONS\n",
+ "E1= (E*1000-R*n*(273.1+T))/1000 \n",
+ "#RESULTS\n",
+ "E1=round(E1,2)\n",
+ "print 'heat absorbed=',E1,'kcal moleˆ−1'"
+ ]
+ },
+ {
+ "cell_type": "markdown",
+ "metadata": {},
+ "source": [
+ "## Example 4.2, Page no.14"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "execution_count": 3,
+ "metadata": {
+ "collapsed": false
+ },
+ "outputs": [
+ {
+ "name": "stdout",
+ "output_type": "stream",
+ "text": [
+ "Enthalpy of transition= -0.07 kcal\n"
+ ]
+ }
+ ],
+ "source": [
+ "import math\n",
+ "#given\n",
+ "Hr1= -71.03 #in kcal\n",
+ "Hr2= 70.96 #in kcal\n",
+ "#CALCULATIONS\n",
+ "H= Hr1+Hr2 \n",
+ "#RESULTS\n",
+ "print 'Enthalpy of transition=',H,'kcal'"
+ ]
+ },
+ {
+ "cell_type": "markdown",
+ "metadata": {},
+ "source": [
+ "## Example 4.3,Page no.15"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "execution_count": 4,
+ "metadata": {
+ "collapsed": false
+ },
+ "outputs": [
+ {
+ "name": "stdout",
+ "output_type": "stream",
+ "text": [
+ "Enthalpy of formation= -193.91 kcal\n"
+ ]
+ }
+ ],
+ "source": [
+ "import math\n",
+ "#initialisation of variables\n",
+ "Hr1= -70.96 #in kcal\n",
+ "Hr2= -23.49 #in kcal\n",
+ "Hr3= -31.14 #in kcal\n",
+ "Hr4= -68.32 #in kcal \n",
+ "#CALCULATIONS\n",
+ "H= Hr1+Hr2+Hr3+Hr4 \n",
+ "#RESULTS\n",
+ "print 'Enthalpy of formation=',H,'kcal'"
+ ]
+ },
+ {
+ "cell_type": "markdown",
+ "metadata": {},
+ "source": [
+ "## Example 4.4,Page no.15"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "execution_count": 5,
+ "metadata": {
+ "collapsed": false
+ },
+ "outputs": [
+ {
+ "name": "stdout",
+ "output_type": "stream",
+ "text": [
+ "Enthalpy of formation of acetylene= 53.26 kcal moleˆ−1\n"
+ ]
+ }
+ ],
+ "source": [
+ "import math\n",
+ "#intialisation of variables\n",
+ "dH= -310.615 #in kcal\n",
+ "HfCO2= -94.52 #in kcal\n",
+ "HfH2O= -68.3174 #kcal \n",
+ "#CALCULATIONS\n",
+ "HfCH2= -dH+2*HfCO2+HfH2O \n",
+ "#RESULTS\n",
+ "HfCH2=round(HfCH2,2)\n",
+ "print 'Enthalpy of formation of acetylene=',HfCH2,'kcal moleˆ−1'"
+ ]
+ },
+ {
+ "cell_type": "markdown",
+ "metadata": {},
+ "source": [
+ "## Example 4.5,Page no.16"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "execution_count": 6,
+ "metadata": {
+ "collapsed": false
+ },
+ "outputs": [
+ {
+ "name": "stdout",
+ "output_type": "stream",
+ "text": [
+ "Enthalpy of formation of n butane= -158.484 kcal moleˆ−1\n"
+ ]
+ }
+ ],
+ "source": [
+ "import math\n",
+ "#initialisation of variables\n",
+ "dH= -687.982 #in kcal\n",
+ "HCO2= -94.0518 #in kcal\n",
+ "#CALCULATIONS\n",
+ "H= -dH+4*HCO2+5*HCO2\n",
+ "#RESULTS\n",
+ "H=round(H,3)\n",
+ "print 'Enthalpy of formation of n butane=',H,'kcal moleˆ−1'"
+ ]
+ },
+ {
+ "cell_type": "markdown",
+ "metadata": {},
+ "source": [
+ "## Example 4.6,Page no.16"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "execution_count": 7,
+ "metadata": {
+ "collapsed": false
+ },
+ "outputs": [
+ {
+ "name": "stdout",
+ "output_type": "stream",
+ "text": [
+ "Enthalpy change= -202.6 kcal moleˆ−1\n"
+ ]
+ }
+ ],
+ "source": [
+ "import math\n",
+ "#initialisation of variables\n",
+ "HfAlO2= -399.1 #in kcal\n",
+ "HfFe2O2= -196.5 #in kcal\n",
+ "#CALCULATIONS\n",
+ "dH= HfAlO2 -HfFe2O2\n",
+ "#RESULTS\n",
+ "print 'Enthalpy change=',dH,'kcal moleˆ−1'"
+ ]
+ },
+ {
+ "cell_type": "markdown",
+ "metadata": {},
+ "source": [
+ "## Example 4.7,Page no.16"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "execution_count": 8,
+ "metadata": {
+ "collapsed": false
+ },
+ "outputs": [
+ {
+ "name": "stdout",
+ "output_type": "stream",
+ "text": [
+ "integral heat of dilution= -2.43 kcal\n"
+ ]
+ }
+ ],
+ "source": [
+ "import math\n",
+ "#initialisation of variables\n",
+ "Hr= -17.74 #in kcal\n",
+ "Hr1= 15.31 #in kcal\n",
+ "#CALCULATIONS\n",
+ "dH= Hr+Hr1\n",
+ "#RESULTS\n",
+ "print 'integral heat of dilution=',dH,'kcal'"
+ ]
+ },
+ {
+ "cell_type": "markdown",
+ "metadata": {},
+ "source": [
+ "## Example 4.8,Page no.17"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "execution_count": 9,
+ "metadata": {
+ "collapsed": false
+ },
+ "outputs": [
+ {
+ "name": "stdout",
+ "output_type": "stream",
+ "text": [
+ "integral heat of hydration= -19.41 kcal\n"
+ ]
+ }
+ ],
+ "source": [
+ "import math\n",
+ "#initialisation of variables\n",
+ "dHr= -0.56 #in kcal\n",
+ "dHr1= -18.85 #in kcal\n",
+ "#CALCULATIONS\n",
+ "dH= dHr+dHr1\n",
+ "#RESULTS\n",
+ "print 'integral heat of hydration=',dH,'kcal'"
+ ]
+ },
+ {
+ "cell_type": "markdown",
+ "metadata": {},
+ "source": [
+ "## Example 4.9,Page no.17"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "execution_count": 10,
+ "metadata": {
+ "collapsed": false
+ },
+ "outputs": [
+ {
+ "name": "stdout",
+ "output_type": "stream",
+ "text": [
+ "enthalpy of formation= -39.803 kcal moleˆ−1\n"
+ ]
+ }
+ ],
+ "source": [
+ "import math\n",
+ "#initialisation of variables\n",
+ "HfHcl= -22.063 #in kcal\n",
+ "H298= -17.74 #in kcal\n",
+ "#CALCULATIONS\n",
+ "HfHcl200H2O= HfHcl+H298 \n",
+ "#RESULTS\n",
+ "print 'enthalpy of formation=',HfHcl200H2O,'kcal moleˆ−1'"
+ ]
+ },
+ {
+ "cell_type": "markdown",
+ "metadata": {},
+ "source": [
+ "## Example 4.10,Page no.17"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "execution_count": 11,
+ "metadata": {
+ "collapsed": false
+ },
+ "outputs": [
+ {
+ "name": "stdout",
+ "output_type": "stream",
+ "text": [
+ "dH298= -13.72 kcal\n"
+ ]
+ }
+ ],
+ "source": [
+ "import math\n",
+ "#initialisation of variables\n",
+ "HNaCl= -97.219 #in kcal\n",
+ "HH2O= -68.3174 #in kcal\n",
+ "HHcl= -39.713 #in kcal\n",
+ "HNaOH= -112.108 #in kcal\n",
+ "#CALCULATIONS\n",
+ "H298= HNaCl+HH2O -HHcl -HNaOH\n",
+ "#RESULTS\n",
+ "H298=round(H298,2)\n",
+ "print 'dH298=',H298,'kcal'"
+ ]
+ },
+ {
+ "cell_type": "markdown",
+ "metadata": {},
+ "source": [
+ "## Example 4.11,Page no.18"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "execution_count": 2,
+ "metadata": {
+ "collapsed": false
+ },
+ "outputs": [
+ {
+ "name": "stdout",
+ "output_type": "stream",
+ "text": [
+ "dH= 5399.67 cal moleˆ−1\n"
+ ]
+ }
+ ],
+ "source": [
+ "import math\n",
+ "#initialisation of variables\n",
+ "T1=1000 #in K\n",
+ "T2=300 #in K\n",
+ "k1=6.0954 #in cal degˆ−1 moleˆ−1 \n",
+ "k2=3.2533*10**-3 #in cal degˆ−2 moleˆ−1\n",
+ "k3=-1.071*10**-6 #in cal degˆ−3 moleˆ−1\n",
+ "#CALCULATIONS\n",
+ "dH=k1*(T1-T2)+(k2*(T1**2-T2**2)/2)+(k3*(T1**3-T2**3)/3)\n",
+ "#RESULTS\n",
+ "dH=round(dH,2)\n",
+ "print 'dH=',dH,'cal moleˆ−1'"
+ ]
+ },
+ {
+ "cell_type": "markdown",
+ "metadata": {},
+ "source": [
+ "## Example 4.12,Page no.18"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "execution_count": 13,
+ "metadata": {
+ "collapsed": false
+ },
+ "outputs": [
+ {
+ "name": "stdout",
+ "output_type": "stream",
+ "text": [
+ "H263= -74.6 cal gˆ−1\n"
+ ]
+ }
+ ],
+ "source": [
+ "import math\n",
+ "#initialisation of variables\n",
+ "dH273=-79.7 #in cal gˆ−1\n",
+ "T1=263 #in K\n",
+ "T2=273 #in K\n",
+ "dCp=-0.51 #in cal moleˆ−1 degˆ−1\n",
+ "#CALCULATIONS\n",
+ "H263=dH273+dCp*(T1-T2) \n",
+ "#RESULTS\n",
+ "print 'H263=',H263,'cal gˆ−1'"
+ ]
+ },
+ {
+ "cell_type": "markdown",
+ "metadata": {},
+ "source": [
+ "## Example 4.13,Page no.19"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "execution_count": 14,
+ "metadata": {
+ "collapsed": false
+ },
+ "outputs": [
+ {
+ "name": "stdout",
+ "output_type": "stream",
+ "text": [
+ "dH= -119771.7 cal\n"
+ ]
+ }
+ ],
+ "source": [
+ "import math\n",
+ "#initialisation of variables\n",
+ "dH293=-115595.8 #in cal\n",
+ "T1=1500 #in K\n",
+ "T2=298 #in K\n",
+ "k1=-5.6146 #cal degˆ−1 moleˆ−1\n",
+ "k2=1.8931*10**-3 #cal degˆ−2 moleˆ−1\n",
+ "k3=4.723*10**-7 #cal degˆ−3 moleˆ−1 \n",
+ "#CALCULATIONS\n",
+ "dH=dH293+ k1*(T1-T2)+(k2*(T1**2-T2**2)/2)+(k3*(T1**3-T2**3)/3)\n",
+ "#RESULTS\n",
+ "dH=round(dH,2)\n",
+ "print 'dH=',dH,'cal'"
+ ]
+ }
+ ],
+ "metadata": {
+ "anaconda-cloud": {},
+ "kernelspec": {
+ "display_name": "Python [Root]",
+ "language": "python",
+ "name": "Python [Root]"
+ },
+ "language_info": {
+ "codemirror_mode": {
+ "name": "ipython",
+ "version": 2
+ },
+ "file_extension": ".py",
+ "mimetype": "text/x-python",
+ "name": "python",
+ "nbconvert_exporter": "python",
+ "pygments_lexer": "ipython2",
+ "version": "2.7.11"
+ }
+ },
+ "nbformat": 4,
+ "nbformat_minor": 0
+}