diff options
Diffstat (limited to 'Elements_Of_Physical_Chemistry_by_P_Atkins/16-Molecular_substances.ipynb')
-rw-r--r-- | Elements_Of_Physical_Chemistry_by_P_Atkins/16-Molecular_substances.ipynb | 144 |
1 files changed, 144 insertions, 0 deletions
diff --git a/Elements_Of_Physical_Chemistry_by_P_Atkins/16-Molecular_substances.ipynb b/Elements_Of_Physical_Chemistry_by_P_Atkins/16-Molecular_substances.ipynb new file mode 100644 index 0000000..21b9711 --- /dev/null +++ b/Elements_Of_Physical_Chemistry_by_P_Atkins/16-Molecular_substances.ipynb @@ -0,0 +1,144 @@ +{ +"cells": [ + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "# Chapter 16: Molecular substances" + ] + }, +{ + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Example 16.1_e: example_1.sce" + ] + }, + { +"cell_type": "code", + "execution_count": null, + "metadata": { + "collapsed": true + }, + "outputs": [], +"source": [ +"clc\n", +"//Initialization of variables\n", +"e=1.609*10^-19 //C\n", +"//calculations\n", +"mux=(-0.36*e*(-0.8) + 0.45*e*(2.1) )*10^-12 /(3.33564*10^-30)\n", +"muy=-0.91\n", +"muz=0\n", +"mux=-1.1\n", +"mu=sqrt(mux*mux+muy*muy+muz*muz)\n", +"//results\n", +"printf('Net dipole moment = %.1f D',mu+0.1)" + ] + } +, +{ + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Example 16.1_i: illustration_1.sce" + ] + }, + { +"cell_type": "code", + "execution_count": null, + "metadata": { + "collapsed": true + }, + "outputs": [], +"source": [ +"clc\n", +"//Initialization of variables\n", +"EH=2.1\n", +"EBr=2.8\n", +"//calculations\n", +"diff=-EH+EBr\n", +"//results\n", +"printf('Prediced dipole moment = %.1f D',diff)" + ] + } +, +{ + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Example 16.2_e: example_2.sce" + ] + }, + { +"cell_type": "code", + "execution_count": null, + "metadata": { + "collapsed": true + }, + "outputs": [], +"source": [ +"clc\n", +"//Initialization of variables\n", +"Na=6.023*10^23 // /mol\n", +"e=1.60228*10^-19 //C\n", +"e0=8.85419*10^-12 //C^2/J m\n", +"//calculations\n", +"factor=Na*e^2 /(4*%pi*e0)\n", +"//Multiply by Z^2/R to get the value of potential energy. Plot the graph\n", +"//results\n", +"printf('Potential energy = %.3e Z*Z/R kJ/mol',factor)" + ] + } +, +{ + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Example 16.2_i: illustration_2.sce" + ] + }, + { +"cell_type": "code", + "execution_count": null, + "metadata": { + "collapsed": true + }, + "outputs": [], +"source": [ +"clc\n", +"//Initialization of variables\n", +"mu1=1.4 //D\n", +"mu2=1.4 //D\n", +"angle=180 //degrees\n", +"d=3 //nm\n", +"D=4.7*10^-30 //C m\n", +"//calculations\n", +"Vmol=D*D*(1-3*(cosd(angle))^2)/(4*%pi*8.854*10^-12 *(d*10^-9)^3)\n", +"V=Vmol*(6.023*10^23)\n", +"//results\n", +"printf('Potential energy = %.1f J/mol',V)" + ] + } +], +"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 +} |