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authorPrashant S2020-04-14 10:25:32 +0530
committerGitHub2020-04-14 10:25:32 +0530
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+{
+"cells": [
+ {
+ "cell_type": "markdown",
+ "metadata": {},
+ "source": [
+ "# Chapter 10: The rates of reactions"
+ ]
+ },
+{
+ "cell_type": "markdown",
+ "metadata": {},
+ "source": [
+ "## Example 10.1_e: example_1.sce"
+ ]
+ },
+ {
+"cell_type": "code",
+ "execution_count": null,
+ "metadata": {
+ "collapsed": true
+ },
+ "outputs": [],
+"source": [
+"clc\n",
+"//Initialization of variables\n",
+"I=[1 2 4 6]*10^-5\n",
+"r1=[1.070 3.48 13.9 31.3]*10^-3\n",
+"r2=[4.35 17.4 69.6 157]*10^-3\n",
+"r3=[10.69 34.7 138 313]*10^-3\n",
+"Ar=[1 5 10]*10^-3\n",
+"//calculations\n",
+"logI=log(I)\n",
+"logr1=log(r1)\n",
+"logr2=log(r2)\n",
+"logr3=log(r3)\n",
+"//The calculations are approximate.hence the value differs from textbook a bit.\n",
+"x=logI\n",
+"y=logr1\n",
+"sx=sum(x);sx2=sum(x^2);sy=sum(y);sxy=sum(x.*y);n=length(x);\n",
+"A=[sx,n;sx2,sx];B=[sy;sxy];p=A\B;\n",
+"m1=p(1,1);b1=p(2,1);\n",
+"y=logr2\n",
+"sx=sum(x);sx2=sum(x^2);sy=sum(y);sxy=sum(x.*y);n=length(x);\n",
+"A=[sx,n;sx2,sx];B=[sy;sxy];p=A\B;\n",
+"m2=p(1,1);b2=p(2,1);\n",
+"y=logr3\n",
+"sx=sum(x);sx2=sum(x^2);sy=sum(y);sxy=sum(x.*y);n=length(x);\n",
+"A=[sx,n;sx2,sx];B=[sy;sxy];p=A\B;\n",
+"m3=p(1,1);b3=p(2,1);\n",
+"logAr=log(Ar)\n",
+"kdash=[b1 b2 b3]\n",
+"plot(logAr,kdash)\n",
+"x=logAr\n",
+"y=kdash\n",
+"sx=sum(x);sx2=sum(x^2);sy=sum(y);sxy=sum(x.*y);n=length(x);\n",
+"A=[sx,n;sx2,sx];B=[sy;sxy];p=A\B;\n",
+"m4=p(1,1);b4=p(2,1);\n",
+"logk=b4\n",
+"k=%e^logk\n",
+"//results\n",
+"printf('Overall rate law is r = %.1e [I]^2 [Ar]',k)"
+ ]
+ }
+,
+{
+ "cell_type": "markdown",
+ "metadata": {},
+ "source": [
+ "## Example 10.1_i: illustration_1.sce"
+ ]
+ },
+ {
+"cell_type": "code",
+ "execution_count": null,
+ "metadata": {
+ "collapsed": true
+ },
+ "outputs": [],
+"source": [
+"clc\n",
+"//Initialization of variables\n",
+"t=28.4 //min\n",
+"//calculations\n",
+"n=log2(8)\n",
+"time=n*t\n",
+"printf('Time required = %.1f min',time)"
+ ]
+ }
+,
+{
+ "cell_type": "markdown",
+ "metadata": {},
+ "source": [
+ "## Example 10.2_e: example_2.sce"
+ ]
+ },
+ {
+"cell_type": "code",
+ "execution_count": null,
+ "metadata": {
+ "collapsed": true
+ },
+ "outputs": [],
+"source": [
+"clc\n",
+"//Initialization of variables\n",
+"t=[0 1000 2000 3000 4000]\n",
+"p=[10.20 5.72 3.99 2.78 1.94]\n",
+"lnp=log(p)\n",
+"x=t\n",
+"y=lnp\n",
+"//hence the value differs from textbook a bit.\n",
+"sx=sum(x);sx2=sum(x^2);sy=sum(y);sxy=sum(x.*y);n=length(x);\n",
+"A=[sx,n;sx2,sx];B=[sy;sxy];p=A\B;\n",
+"m=p(1,1);b=p(2,1);\n",
+"k=m\n",
+"plot(x,y)\n",
+"//Since first order reaction\n",
+"//results\n",
+"printf('rate constant = %.2e s^-1',k)"
+ ]
+ }
+,
+{
+ "cell_type": "markdown",
+ "metadata": {},
+ "source": [
+ "## Example 10.2_i: illustration_2.sce"
+ ]
+ },
+ {
+"cell_type": "code",
+ "execution_count": null,
+ "metadata": {
+ "collapsed": true
+ },
+ "outputs": [],
+"source": [
+"clc\n",
+"//Initialization of variables\n",
+"E=50*10^3 //J/mol\n",
+"T1=25+273 //K\n",
+"T2=37+273 //K\n",
+"//calculations\n",
+"ln=E/8.3145 *(1/T1-1/T2)\n",
+"factor=%e^(ln)\n",
+"//results\n",
+"printf('kdash = %.2f k',factor)"
+ ]
+ }
+,
+{
+ "cell_type": "markdown",
+ "metadata": {},
+ "source": [
+ "## Example 10.3_e: example_3.sce"
+ ]
+ },
+ {
+"cell_type": "code",
+ "execution_count": null,
+ "metadata": {
+ "collapsed": true
+ },
+ "outputs": [],
+"source": [
+"clc\n",
+"//Initialization of variables\n",
+"T=[700 730 760 790 810 840 910 1000]\n",
+"k=[0.011 0.035 0.105 0.343 0.789 2.17 20 145]\n",
+"//calculations\n",
+"x=1000/T\n",
+"y=log(k)\n",
+"//sx=sum(x)\n",
+"//sx2=sum(x^2)\n",
+"//sy=sum(y)\n",
+"//sxy=sum(x.*y)\n",
+"//n=length(x)\n",
+"//A=[sx,n;sx2,sx]\n",
+"//B=[sy;sxy]\n",
+"//p=A\B\n",
+"//m=p(1,1)\n",
+"//b=p(2,1)\n",
+"disp('from graph')\n",
+"m=2.265*10^4\n",
+"Ea=m*8.3145\n",
+"b=27.71\n",
+"A=%e^(b)\n",
+"//results\n",
+"printf('Activation energy = %d kJ/mol',Ea/1000)\n",
+"printf('\n Arrhenius factor = %.2e L/ mol s',A)"
+ ]
+ }
+],
+"metadata": {
+ "kernelspec": {
+ "display_name": "Scilab",
+ "language": "scilab",
+ "name": "scilab"
+ },
+ "language_info": {
+ "file_extension": ".sce",
+ "help_links": [
+ {
+ "text": "MetaKernel Magics",
+ "url": "https://github.com/calysto/metakernel/blob/master/metakernel/magics/README.md"
+ }
+ ],
+ "mimetype": "text/x-octave",
+ "name": "scilab",
+ "version": "0.7.1"
+ }
+ },
+ "nbformat": 4,
+ "nbformat_minor": 0
+}