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author | Prashant S | 2020-04-14 10:25:32 +0530 |
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committer | GitHub | 2020-04-14 10:25:32 +0530 |
commit | 06b09e7d29d252fb2f5a056eeb8bd1264ff6a333 (patch) | |
tree | 2b1df110e24ff0174830d7f825f43ff1c134d1af /Elements_Of_Physical_Chemistry_by_P_Atkins/10-The_rates_of_reactions.ipynb | |
parent | abb52650288b08a680335531742a7126ad0fb846 (diff) | |
parent | 476705d693c7122d34f9b049fa79b935405c9b49 (diff) | |
download | all-scilab-tbc-books-ipynb-master.tar.gz all-scilab-tbc-books-ipynb-master.tar.bz2 all-scilab-tbc-books-ipynb-master.zip |
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diff --git a/Elements_Of_Physical_Chemistry_by_P_Atkins/10-The_rates_of_reactions.ipynb b/Elements_Of_Physical_Chemistry_by_P_Atkins/10-The_rates_of_reactions.ipynb new file mode 100644 index 0000000..5a2784e --- /dev/null +++ b/Elements_Of_Physical_Chemistry_by_P_Atkins/10-The_rates_of_reactions.ipynb @@ -0,0 +1,217 @@ +{ +"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 +} |