{ "cells": [ { "cell_type": "markdown", "metadata": {}, "source": [ "# Calcul de la structure d'un atome\n" ] }, { "cell_type": "raw", "metadata": { "raw_mimetype": "text/restructuredtext" }, "source": [ ":download:`Télécharger le pdf <./structure_atome.pdf>`\n", "\n", ":download:`Télécharger le notebook <./structure_atome.ipynb>`\n", "\n", ":download:`Lancer le notebook sur binder (lent) `" ] }, { "cell_type": "code", "execution_count": 1, "metadata": {}, "outputs": [ { "name": "stdout", "output_type": "stream", "text": [ "Entrer le numéro atomique Z = 6\n", "Entrer le nombre de masse A = 14\n", "\n", "RESULTATS\n", "il s'agit de l'élément Carbone C\n", "le nombre de protons est: 6\n", "le nombre de neutrons est: 8\n", "le nombre d'électrons est: 6\n", "la masse du noyau de l'atome est: 2.338e-26 kg \n", "la masse de l'atome est: 2.339e-26 kg\n", "\n", "le remplissage des couches électroniques donne: (K)2(L)4\n", "Selon la règle de Klechkowski, la structure électronique est: 1s2 2s2 2p2 \n" ] } ], "source": [ "# programme calculant la structure de l'atome\n", "\n", "#données\n", "# la masse des protons et des neutrons est approchée:\n", "masse_nucleon = 1.67e-27\n", "# masse de l'électron\n", "masse_electron = 9.109e-31\n", "# liste des orbitales atomiques\n", "liste_orbitales = ( (1,'s',2), (2,'s',2), (2, 'p', 6), (3, 's', 2), (3, 'p', 6),\n", " (4, 's', 2), (3, 'd', 10), (4, 'p', 6), (5, 's', 2), (4, 'd', 10), (5, 'p', 6),\n", " (6, 's', 2), (4, 'f', 14), (5, 'd', 10), (6, 'p', 6),\n", " (7, 's', 2), (5, 'f', 14), (6, 'd', 10), (7, 'p', 6))\n", "# liste des éléments chimiques de la classification\n", "elements = (\n", "\"Hydrogène H\",\n", "\"Hélium He\",\n", "\"Lithium Li\",\n", "\"Béryllium Be\",\n", "\"Bore B\",\n", "\"Carbone C\",\n", "\"Azote N\",\n", "\"Oxygène O\",\n", "\"Fluor F\",\n", "\"Néon Ne\",\n", "\"Sodium Na\",\n", "\"Magnésium Mg\",\n", "\"Aluminium Al\",\n", "\"Silicium Si\",\n", "\"Phosphore P\",\n", "\"Soufre S\",\n", "\"Chlore Cl\",\n", "\"Argon Ar\",\n", "\"Potassium K\",\n", "\"Calcium Ca\",\n", "\"Scandium Sc\",\n", "\"Titane Ti\",\n", "\"Vanadium V\",\n", "\"Chrome Cr\",\n", "\"Manganèse Mn\",\n", "\"Fer Fe\",\n", "\"Cobalt Co\",\n", "\"Nickel Ni\",\n", "\"Cuivre Cu\",\n", "\"Zinc Zn\",\n", "\"Gallium Ga\",\n", "\"Germanium Ge\",\n", "\"Arsenic As\",\n", "\"Sélénium Se\",\n", "\"Brome Br\",\n", "\"Krypton Kr\",\n", "\"Rubidium Rb\",\n", "\"Strontium Sr\",\n", "\"Yttrium Y\",\n", "\"Zirconium Zr\",\n", "\"Niobium Nb\",\n", "\"Molybdène Mo\",\n", "\"Technétium Tc\",\n", "\"Ruthénium Ru\",\n", "\"Rhodium Rh\",\n", "\"Palladium Pd\",\n", "\"Argent Ag\",\n", "\"Cadmium Cd\",\n", "\"Indium In\",\n", "\"Étain Sn\",\n", "\"Antimoine Sb\",\n", "\"Tellure Te\",\n", "\"Iode I\",\n", "\"Xénon Xe\",\n", "\"Césium Cs\",\n", "\"Baryum Ba\",\n", "\"Lanthane La\",\n", "\"Cérium Ce\",\n", "\"Praséodyme Pr\",\n", "\"Néodyme Nd\",\n", "\"Prométhium Pm\",\n", "\"Samarium Sm\",\n", "\"Europium Eu\",\n", "\"Gadolinium Gd\",\n", "\"Terbium Tb\",\n", "\"Dysprosium Dy\",\n", "\"Holmium Ho\",\n", "\"Erbium Er\",\n", "\"Thulium Tm\",\n", "\"Ytterbium Yb\",\n", "\"Lutécium Lu\",\n", "\"Hafnium Hf\",\n", "\"Tantale Ta\",\n", "\"Tungstène W\",\n", "\"Rhénium Re\",\n", "\"Osmium Os\",\n", "\"Iridium Ir\",\n", "\"Platine Pt\",\n", "\"Or Au\",\n", "\"Mercure Hg\",\n", "\"Thallium Tl\",\n", "\"Plomb Pb\",\n", "\"Bismuth Bi\",\n", "\"Polonium Po\",\n", "\"Astate At\",\n", "\"Radon Rn\",\n", "\"Francium Fr\",\n", "\"Radium Ra\",\n", "\"Actinium Ac\",\n", "\"Thorium Th\",\n", "\"Protactinium Pa\",\n", "\"Uranium U\",\n", "\"Neptunium Np\",\n", "\"Plutonium Pu\",\n", "\"Américium Am\",\n", "\"Curium Cm\",\n", "\"Berkélium Bk\",\n", "\"Californium Cf\",\n", "\"Einsteinium Es\",\n", "\"Fermium Fm\",\n", "\"Mendélévium Md\",\n", "\"Nobélium No\",\n", "\"Lawrencium Lr\",\n", "\"Rutherfordium Rf\",\n", "\"Dubnium Db\",\n", "\"Seaborgium Sg\",\n", "\"Bohrium Bh\",\n", "\"Hassium Hs\",\n", "\"Meitnérium Mt\",\n", "\"Darmstadtium Ds\",\n", "\"Roentgenium Rg\",\n", "\"Ununbium Uub\",\n", "\"Ununtrium Uut\",\n", "\"Ununquadium Uuq\",\n", "\"Ununpentium Uup\",\n", "\"Ununhexium Uuh\",\n", "\"Ununseptium Uus\",\n", "\"Ununoctium Uuo\")\n", "\n", "# Entrées\n", "# demande des numéros atomiques et nombre de masse\n", "Z = int(input('Entrer le numéro atomique Z = '))\n", "A = int(input('Entrer le nombre de masse A = '))\n", "\n", "#calcul des masses\n", "masse_noyau = A * masse_nucleon\n", "masse = A * masse_nucleon + Z * masse_electron\n", "\n", "# calcul des couches électroniques\n", "\n", "if Z <= 2:\n", " couches = \"(K)\" + str(Z)\n", "elif Z <=10:\n", " couches = \"(K)\" + str(2) + \"(L)\" + str(Z-2)\n", "elif Z <= 18:\n", " couches = \"(K)\" + str(2) + \"(L)\" + str(8) + \"(M)\" + str(Z-10)\n", "else:\n", " couches = \"ce calcul est limité à des numéros atomiques inférieurs ou égal à 18\"\n", " \n", "\n", "# calcul des orbitales atomiques\n", "orbitale = 0\n", "n_restant = Z\n", "structure = \"\"\n", "while n_restant > 0:\n", " (n, nom, ne) = liste_orbitales [orbitale]\n", " if n_restant < ne:\n", " nmin = n_restant\n", " else:\n", " nmin = ne\n", " structure = structure + str(n) + nom + str(nmin) + ' '\n", " n_restant = n_restant - nmin\n", " orbitale = orbitale + 1\n", "\n", "# impression des résultats\n", "print (\"\\nRESULTATS\")\n", "# impression de l'élément et de son symbole\n", "print('{:35}'.format(\"il s'agit de l'élément \"), elements[Z-1])\n", "# impression de la structure de l'atome\n", "print('{:35}'.format('le nombre de protons est: '), Z )\n", "print('{:35}'.format('le nombre de neutrons est: '), A - Z)\n", "print('{:35}'.format(\"le nombre d'électrons est: \"), Z)\n", "# impression des masses, du noyau et de l'atome\n", "print(\"{0:35} {1:.3e} {2:8}\".format(\"la masse du noyau de l'atome est: \",masse_noyau,' kg'))\n", "print('{:35}'.format(\"la masse de l'atome est: \"), \"{0:.3e}\".format(masse), ' kg')\n", "print(\"\")\n", "# impression des couches et structure électronique\n", "print('{:65}'.format(\"le remplissage des couches électroniques donne: \"), couches)\n", "print('{:65}'.format('Selon la règle de Klechkowski, la structure électronique est: '), structure)" ] } ], "metadata": { "kernelspec": { "display_name": "Python 3", "language": "python", "name": "python3" }, "language_info": { "codemirror_mode": { "name": "ipython", "version": 3 }, "file_extension": ".py", "mimetype": "text/x-python", "name": "python", "nbconvert_exporter": "python", "pygments_lexer": "ipython3", "version": "3.6.9" } }, "nbformat": 4, "nbformat_minor": 4 }