species.h

/**
 * \copyright
 * Copyright (c) 2020, OpenGeoSys Community (http://www.opengeosys.org)
 *            Distributed under a Modified BSD License.
 *              See accompanying file LICENSE.txt or
 *              http://www.opengeosys.org/project/license
 *
 */

#include <string>
// using namespace std;
const std::string ELEMENTS[] = {
    "0   Charge        Ea ", "1   Hydrogen      H  ", "2   Helium        He ",
    "3   Lithium       Li ", "4   Beryllium     Be ", "5   Boron         B  ",
    "6   Carbon        C  ", "7   Nitrogen      N  ", "8   Oxygen        O  ",
    "9   Fluorine      F  ", "10  Neon          Ne ", "11  Sodium        Na ",
    "12  Magnesium     Mg ", "13  Aluminum      Al ", "14  Silicon       Si ",
    "15  Phosphorus    P  ", "16  Sulfur        S  ", "17  Chlorine      Cl ",
    "18  Argon         Ar ", "19  Potassium     K  ", "20  Calcium       Ca ",
    "21  Scandium      Sc ", "22  Titanium      Ti ", "23  Vanadium      V  ",
    "24  Chromium      Cr ", "25  Manganese     Mn ", "26  Iron          Fe ",
    "27  Cobalt        Co ", "28  Nickel        Ni ", "29  Copper        Cu ",
    "30  Zinc          Zn ", "31  Gallium       Ga ", "32  Germanium     Ge ",
    "33  Arsenic       As ", "34  Selenium      Se ", "35  Bromine       Br ",
    "36  Krypton       Kr ", "37  Rubidium      Rb ", "38  Strontium     Sr ",
    "39  Yttrium       Y  ", "40  Zirconium     Zr ", "41  Niobium       Nb ",
    "42  Molybdenum    Mo ", "43  Technetium    Tc ", "44  Ruthenium     Ru ",
    "45  Rhodium       Rh ", "46  Palladium     Pd ", "47  Silver        Ag ",
    "48  Cadmium       Cd ", "49  Indium        In ", "50  Tin           Sn ",
    "51  Antimony      Sb ", "52  Tellurium     Te ", "53  Iodine        I  ",
    "54  Xenon         Xe ", "55  Cesium        Cs ", "56  Barium        Ba ",
    "57  Lanthanum     La ", "58  Cerium        Ce ", "59  Praseodymium  Pr ",
    "60  Neodymium     Nd ", "61  Promethium    Pm ", "62  Samarium      Sm ",
    "63  Europium      Eu ", "64  Gadolinium    Gd ", "65  Terbium       Tb ",
    "66  Dysprosium    Dy ", "67  Holmium       Ho ", "68  Erbium        Er ",
    "69  Thulium       Tm ", "70  Ytterbium     Yb ", "71  Lutetium      Lu ",
    "72  Hafnium       Hf ", "73  Tantalum      Ta ", "74  Tungsten      W  ",
    "75  Rhenium       Re ", "76  Osmium        Os ", "77  Iridium       Ir ",
    "78  Platinum      Pt ", "79  Gold          Au ", "80  Mercury       Hg ",
    "81  Thallium      Tl ", "82  Lead          Pb ", "83  Bismuth       Bi ",
    "84  Polonium      Po ", "85  Astatine      At ", "86  Radon         Rn ",
    "87  Francium      Fr ", "88  Radium        Ra ", "89  Actinium      Ac ",
    "90  Thorium       Th ", "91  Protactinium  Pa ", "92  Uranium       U  ",
    "93  Neptunium     Np ", "94  Plutonium     Pu ", "95  Americium     Am ",
    "96  Curium        Cm ", "97  Berkelium     Bk ", "98  Californium   Cf ",
    "99  Einsteinium   Es ", "100 Fermium       Fm ", "101 Mendelevium   Md ",
    "102 Nobelium      No ", "103 Lawrencium    Lr ", "104 Rutherfordium Rf ",
    "105 Dubnium       Db ", "106 Seaborgium    Sg ", "107 Bohrium       Bh ",
    "108 Hassium       Hs ", "109 Meitnerium    Mt ", "110 Darmstadtium  Ds ",
    "111 Roentgenium   Rg ", "112 Ununbium      Uub", "113 Ununtrium     Uut",
    "114 Ununquadium   Uuq", "115 Ununpentium   Uup", "116 Ununhexium    Uuh",
    "117 Ununseptium   Uus", "118 Ununoctium    Uuo"};
const std::string SPECIES[] = {  // in aqueous phase
    //"H2O      0",
    "H        1", "OH      -1", "HCO3    -1", "CO3     -2", "Li       1",
    "Na       1", "K        1", "Rb       1", "Cs       1", "Ca       2",
    "CaCO3    0", "CO2      0", "CaHCO3   1", "Cl      -1", "Br      -1",
    "I       -1", "HCl      0", "NaOH     0", "NaCl     0", "NaHCO3   0",
    "NaCO3   -1", "CaOH     1", "CaCl     1", "CaCl2    0"};
const std::string MINERALS[] = {"CALCITE  CaCO3", "DOLOMITE CaMg(CO3)2",
                                "HALITE   NaCl", "CO2gas  CO2"};