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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
}
|
