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+{
+"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
+}