specie_names.h

Flowlive The thermo library provides thermodynamical, chemical and physical properties of elements

//---------------------------------------------------------------------------
//  Project:         FlowLive
//  Module:          thermo
/*!\file             specie_names.h
	\brief            constants for the thermodynamic library
	\version          0.0.2.6
	\date             Created: 2007-01-09
	\date             Last modified: 2007-09-23
	\author           <a href="mailto:[e-mail]">Tobias Severin, [e-mail]</a>
*/
//---------------------------------------------------------------------------
#ifndef SPECIE_NAMES_H
#define SPECIE_NAMES_H
//---------------------------------------------------------------------------
#include <thermo/thermo.h>

#include <string>
#include <vector>

#include <thermo/element_names.h>

//---------------------------------------------------------------------------
THERMO_BEGIN

// prefixes
// i - iso
// n - n
// o - ortho
// m - meta
// p - para
// cy - cyclic
// cu - cubic
// s - secondary
// t - tertiary
// cis
// trans

// postfixes
// s - solid
// l - liquid
// g - gaseous
// aq - in aquaeous solution
// minus
// plus

//---------------------------------------------------------------------------
// string constants for specie names
static const std::string kName_N2   = "N2"; // nitrogen
static const std::string kName_O2   = "O2"; // oxygen
static const std::string kName_O3   = "O3"; // ozone
static const std::string kName_H2   = "H2"; // hydrogene
static const std::string kName_D2   = "D2"; // heavy hydrogene
static const std::string kName_T2   = "T2"; // heavy hydrogene
static const std::string kName_CO2  = "CO2"; // carbon dioxide
static const std::string kName_CO   = "CO"; // carbon monoxide
static const std::string kName_H2O  = "H2O"; // water
static const std::string kName_D2O  = "D2O"; // heavy water
static const std::string kName_T2O  = "T2O"; // Tritiated water
static const std::string kName_H2O2 = "H2O2"; // Hydrogen peroxide

static const std::string kName_He3  = "He3"; // Helium-3

static const std::string kName_H2S  = "H2S"; // Hydrogen sulfide
static const std::string kName_SO2  = "SO2"; // Sulfur dioxide
static const std::string kName_SO3  = "SO3"; // Sulfur trioxide
static const std::string kName_COS  = "COS"; // Carbonyl sulfide
static const std::string kName_CS2  = "CS2"; // Carbon disulfide

static const std::string kName_CH   = "CH";  // CH radical
static const std::string kName_CH2  = "CH2";  // CH2 radical
static const std::string kName_CH3  = "CH3";  // CH3 radical

// alkanes
static const std::string kName_CH4 = "CH4";  // methan
static const std::string kName_C2H6 = "C2H6"; // ethan
static const std::string kName_C3H8 = "C3H8"; // propan
static const std::string kName_C4H10 = "C4H10"; // butan
static const std::string kName_C5H12 = "C5H12"; // pentan
static const std::string kName_C6H14 = "C6H14"; // hexan
static const std::string kName_C7H16 = "C7H16"; // heptan
static const std::string kName_C8H18 = "C8H18"; // octan
static const std::string kName_C9H20 = "C9H20"; // nonan
static const std::string kName_C10H22 = "C10H22"; // decan

static const std::string kName_i_C5H12 = "i-C5H12"; // Isopentane (2-methyl butane)
static const std::string kName_i_C6H14 = "i-C6H14"; // Isohexane (2,3-dimethyl butane)
static const std::string kName_i_C8H18 = "i-C8H18"; // Isooctane (2,2,4-trimethyl pentane)
static const std::string kName_i_C10H22 = "i-C10H22"; // Isodecane (2,2,4-tetramethyl hexane)

static const std::string kName_C11H24 = "C11H24"; // Undecane
static const std::string kName_C12H26 = "C12H26"; // Dodecane
static const std::string kName_C13H28 = "C13H28"; // Tridecane
static const std::string kName_C14H30 = "C14H30"; // Tetradecane
static const std::string kName_C15H32 = "C15H32"; // Pentadecane
static const std::string kName_C16H34 = "C16H34"; // Hexadecane (cetane)
static const std::string kName_C17H36 = "C17H36"; // Heptadecane
static const std::string kName_C18H38 = "C18H38"; // Octadecane

static const std::string kName_C19H40 = "C19H40"; // Nonadecane
static const std::string kName_C20H42 = "C20H42"; // Eicosan
static const std::string kName_C21H44 = "C21H44"; // Uneicosan
static const std::string kName_C22H46 = "C22H46"; // Doeicosan
static const std::string kName_C23H48 = "C23H48"; // Trieicosan
static const std::string kName_C24H50 = "C24H50"; // Tetraeicosan
static const std::string kName_C25H52 = "C25H52"; // Pentaeicosan
static const std::string kName_C26H54 = "C26H54"; // Hexaeicosan
static const std::string kName_C27H56 = "C27H56"; // Heptaeicosan
static const std::string kName_C28H58 = "C28H58"; // Octaeicosan
static const std::string kName_C29H60 = "C29H60"; // Nonaeicosan
static const std::string kName_C30H62 = "C30H62"; // Triacontane
static const std::string kName_C31H64 = "C31H64"; // Untriacontane
static const std::string kName_C32H66 = "C32H66"; // Dotriacontane
static const std::string kName_C33H68 = "C33H68"; // Tritriacontane
static const std::string kName_C34H70 = "C34H70"; // Tetratriacontane

static const std::string kName_C35H72 = "C35H72"; // Pentatriacontane

// alkenes
static const std::string kName_C2H4 = "C2H4"; // ethene (ethylene)
static const std::string kName_C3H6 = "C3H6"; // propene (propylene)
static const std::string kName_C4H8 = "C4H8"; // Butene-1
static const std::string kName_C5H10 = "C5H10"; // Pentene-1
static const std::string kName_C6H12 = "C6H12"; // Hexene-1
static const std::string kName_C5H8 = "C5H8"; // Isoprene (2-methyl-1,3-butadiene)
static const std::string kName_C6H10 = "C6H10"; // 1,5-hexadiene

// alkines
static const std::string kName_C2H2 = "C2H2"; // ethyne (acetylene)
static const std::string kName_C3H4 = "C2H2"; // propyne (methylacetylene)

// alkohohls
static const std::string kName_CH3OH = "CH3OH";  // methanol
static const std::string kName_C2H5OH = "C2H5OH";  // ethanol
static const std::string kName_C3H7OH = "C3H7OH";  // propanol
static const std::string kName_C4H9OH = "C4H9OH";  // butanol

// ketones
static const std::string kName_CH3COCH3 = "CH3COCH3"; // acetone

// aldehydes
static const std::string kName_HCHO = "HCHO"; // formaldehyde (methanal)
static const std::string kName_CH3CHO = "CH3CHO"; //CH3CHO (acetaldehyde
static const std::string kName_C2H5CHO = "C2H5CHO";
static const std::string kName_C3H7CHO = "C3H7CHO";

// carboxylic acids
static const std::string kName_HCOOH = "HCOOH"; // Formic acid (systematically called methanoic acid)
static const std::string kName_CH3COOH = "CH3COOH"; // Acetic acid, also known as ethanoic acid
static const std::string kName_C2H5COOH = "C2H5COOH"; // Propionic acid (systematically named propanoic acid)
static const std::string kName_C3H7COOH = "C3H7COOH"; // Butyric acid (IUPAC name n-Butanoic acid)

// ethers
//CH3OCH3 is methoxymethane
//CH3OCH2CH3 is methoxyethane

// esters (R-CO-O-R')


// cyclic hydrocarbons
static const std::string kName_C6H6 = "C6H6"; // benzene

//static const std::string kName_C4H8 = "C4H8"; // Methylcyclopropane
//static const std::string kName_C5H10 = "C5H10"; // Cyclopentane
//static const std::string kName_C6H12 = "C6H12"; // Cyclohexane
//static const std::string kName_C6H12 = ??? 1,1,2-trimethyl cyclopropane
//static const std::string kName_C7H14 =Cycloheptane
//static const std::string kName_C8H16	Cyclooctane
static const std::string kName_C6H5CH3 = "C6H5CH3"; // Toluene (methyl benzene)
static const std::string kName_C6H5C2H5 = "C6H5C2H5"; // Ethyl Benzene
//static const std::string kName_C8H10	Xylene-m (1,3-dimethyl benzene)

//static const std::string kName_C5H8 Cyclopentene

static const std::string kName_C7H8 = "C7H8";

static const std::string kName_2m_C5H12 = "2m-C5H12";
static const std::string kName_cy_C5H10 = "cyclic-C5H10";
static const std::string kName_cy_C6H12 = "cyclic-C6H12";

static const std::string kName_cu_C8H8 = "cu-C8H8"; // cuban

static const std::string kName_C3H8O3 = "C3H8O3"; // Glyzerin

// Terpentin鰈
static const std::string kName_C10H16 = "C10H16";

static const std::string kName_CH3NO2 = "CH3NO2"; // Nitromethane
static const std::string kName_C2H5NO2 = "C2H5NO2"; // Nitroethane
static const std::string kName_C6H5NO2 = "C6H5NO2"; // Nitrobenzol

// halogen-alkanes
static const std::string kName_CH3F = "CH3F"; // Fluoromethane
static const std::string kName_CH2F2 = "CH2F2"; // Difluoromethane
static const std::string kName_CHF3 = "CHF3"; // Fluoroform
static const std::string kName_CF4 = "CF4"; // Tetrafluoromethane

static const std::string kName_CH3Cl = "CH3Cl"; // Chloromethane
static const std::string kName_CH2Cl2 = "CH2Cl2"; // Dichloromethane
static const std::string kName_CHCl3 = "CHCl3"; // Chloroform, also known as trichloromethane and methyl trichloride
static const std::string kName_CCl4 = "CCl4"; // Carbon tetrachloride (Tetrachloromethane)

static const std::string kName_NO = "NO"; // nitrous oxide
static const std::string kName_NO2 = "NO2"; // Nitrogen dioxide
static const std::string kName_NO3 = "NO3"; // nitrous oxide
static const std::string kName_N2O = "N2O"; // nitrous oxide (laughing gas)
static const std::string kName_N2O3 = "N2O3"; // Dinitrogen trioxide
static const std::string kName_N2O4 = "N2O4"; // Dinitrogen tetroxide
static const std::string kName_N2O5 = "N2O5"; // Dinitrogen pentoxide

static const std::string kName_HCN = "HCN"; // hydrocyanic acid
static const std::string kName_NH3 = "NH3"; // ammonia
static const std::string kName_NH2 = "NH2"; // NH2 radical
static const std::string kName_NH = "NH";   // NH radical
static const std::string kName_N2H4 = "N2H4"; // hydrazine

static const std::string kName_OH = "OH";   // hydronium
static const std::string kName_OH_minus = "OH-";   // hydroxyl

static const std::string kName_SO4 = "SO4"; // sulfate
static const std::string kName_CO3 = "CO3"; // carbonate

static const std::string kName_CaO = "CaO"; // lime
static const std::string kName_CaCO3 = "CaCO3"; // limestone
static const std::string kName_Ca_OH_2 = "Ca(OH)2"; // slacked lime
static const std::string kName_CaSO3 = "CaSO3";
static const std::string kName_CaSO4 = "CaSO4"; // Gips / gypsum
static const std::string kName_Ca_CN_2 = "Ca(CN)2";
static const std::string kName_CaCN2 = "CaCN2";
static const std::string kName_CaCl2 = "CaCl2";
static const std::string kName_CaBr2 = "CaBr2";
static const std::string kName_CaF2 = "CaF2";
static const std::string kName_CaS = "CaS"; // Calciumsulfid / calcium sulfide
static const std::string kName_CaC2 = "CaC2";
static const std::string kName_CaN2 = "CaN2";
static const std::string kName_CaH2 = "CaH2";
static const std::string kName_CaN2O6 = "CaN2O6";
static const std::string kName_Ca3P2O8 = "CaP2O8";
static const std::string kName_Ca3P2 = "CaP2";

static const std::string kName_MgO = "MgO";
static const std::string kName_MgCO3 = "MgCO3";
static const std::string kName_Mg_OH_2 = "Mg(OH)2";
static const std::string kName_MgSO3 = "MgSO3";
static const std::string kName_MgSO4 = "MgSO4";
static const std::string kName_Mg_CN_2 = "Mg(CN)2";
static const std::string kName_MgCl2 = "MgCl2";