specie_mass.h

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

//---------------------------------------------------------------------------
//  Project:         FlowLive
//  Module:          thermo
/*!\file             specie_mass.h
	\brief            constants for the molar masses of species
	\version          0.0.1.4
	\date             Created: 2006-09-14
	\date             Last modified: 2007-09-22
	\author           <a href="mailto:[e-mail]">Tobias Severin, [e-mail]</a>
*/
//---------------------------------------------------------------------------
#ifndef SPECIE_MASS_H
#define SPECIE_MASS_H
//---------------------------------------------------------------------------
#include <thermo/thermo.h>

#include <vector>

#include <thermo/element_mass.h>

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

// molecular masses [kg/mol]

static const double kMass_N2 = 2.0 * kMass_N; // nitrogen
static const double kMass_O2 = 2.0 * kMass_O; // oxygen
static const double kMass_O3 = 3.0 * kMass_O; // ozone
static const double kMass_H2 = 2.0 * kMass_H; // hydrogene
static const double kMass_D2 = 2.0 * kMass_D; // deuterium
static const double kMass_T2 = 2.0 * kMass_T; // deuterium
static const double kMass_CO2 = kMass_C + 2.0 * kMass_O; // carbon dioxide
static const double kMass_CO = kMass_C + kMass_O; // carbon monoxide
static const double kMass_H2O = 2.0 * kMass_H + kMass_O; // water
static const double kMass_D2O = 2.0 * kMass_D + kMass_O; // heavy water
static const double kMass_T2O = 2.0 * kMass_T + kMass_O;

static const double kMass_OH = kMass_H + kMass_O; // hydronium and hydroxyl radical
static const double kMass_H2O2 = 2.0 * kMass_H + 2.0 * kMass_O;

static const double kMass_S2 = 2.0 * kMass_S;
static const double kMass_H2S = 2.0 * kMass_H + kMass_S;
static const double kMass_HS = kMass_H + kMass_S;
static const double kMass_SO = kMass_S + kMass_O;
static const double kMass_SO2 = kMass_S + 2.0 * kMass_O;
static const double kMass_SO3 = kMass_S + 3.0 * kMass_O;
static const double kMass_COS = kMass_C + kMass_O + kMass_S;
static const double kMass_CS2 = kMass_C + 2.0 * kMass_S;

static const double kMass_CH = kMass_C + kMass_H; // CH radical
static const double kMass_CH2 = kMass_C + 2.0 * kMass_H; // CH2 radical
static const double kMass_CH3 = kMass_C + 3.0 * kMass_H; // CH3 radical

// alkanes
static const double kMass_CH4 = kMass_C + 4.0 * kMass_H; // methan
static const double kMass_C2H6 = 2.0 * kMass_C + 6.0 * kMass_H; // ethan
static const double kMass_C3H8 = 3.0 * kMass_C + 8.0 * kMass_H; // propan
static const double kMass_C4H10 = 4.0 * kMass_C + 10.0 * kMass_H; // butan
static const double kMass_C5H12 = 5.0 * kMass_C + 12.0 * kMass_H; // pentan
static const double kMass_C6H14 = 6.0 * kMass_C + 14.0 * kMass_H; // hexan
static const double kMass_C7H16 = 7.0 * kMass_C + 16.0 * kMass_H; // heptan
static const double kMass_C8H18 = 8.0 * kMass_C + 18.0 * kMass_H; // octan
static const double kMass_C9H20 = 9.0 * kMass_C + 20.0 * kMass_H; // nonan
static const double kMass_C10H22 = 10.0 * kMass_C + 22.0 * kMass_H; // decan

static const double kMass_C11H24 = 11.0 * kMass_C + 24.0 * kMass_H; // Undecane
static const double kMass_C12H26 = 12.0 * kMass_C + 26.0 * kMass_H; // Dodecane
static const double kMass_C13H28 = 13.0 * kMass_C + 28.0 * kMass_H; // Tridecane
static const double kMass_C14H30 = 14.0 * kMass_C + 30.0 * kMass_H; // Tetradecane
static const double kMass_C15H32 = 15.0 * kMass_C + 32.0 * kMass_H; // Pentadecane
static const double kMass_C16H34 = 16.0 * kMass_C + 34.0 * kMass_H; // Hexadecane (cetane)
static const double kMass_C17H36 = 17.0 * kMass_C + 36.0 * kMass_H; // Heptadecane
static const double kMass_C18H38 = 18.0 * kMass_C + 38.0 * kMass_H; // Octadecane
static const double kMass_C19H40 = 19.0 * kMass_C + 40.0 * kMass_H; // Nonadecane
static const double kMass_C20H42 = 20.0 * kMass_C + 42.0 * kMass_H; // Eicosan

static const double kMass_C21H44 = 21.0 * kMass_C + 44.0 * kMass_H; // Uneicosan
static const double kMass_C22H46 = 22.0 * kMass_C + 46.0 * kMass_H; // Doeicosan
static const double kMass_C23H48 = 23.0 * kMass_C + 48.0 * kMass_H; // Trieicosan
static const double kMass_C24H50 = 24.0 * kMass_C + 50.0 * kMass_H; // Tetraeicosan
static const double kMass_C25H52 = 25.0 * kMass_C + 52.0 * kMass_H; // Pentaeicosan
static const double kMass_C26H54 = 26.0 * kMass_C + 54.0 * kMass_H; // Hexaeicosan
static const double kMass_C27H56 = 27.0 * kMass_C + 56.0 * kMass_H; // Heptaeicosan
static const double kMass_C28H58 = 28.0 * kMass_C + 58.0 * kMass_H; // Octaeicosan
static const double kMass_C29H60 = 29.0 * kMass_C + 60.0 * kMass_H; // Nonaeicosan
static const double kMass_C30H62 = 30.0 * kMass_C + 62.0 * kMass_H; // Triacontane

static const double kMass_C31H64 = 31.0 * kMass_C + 64.0 * kMass_H; // Untriacontane
static const double kMass_C32H66 = 32.0 * kMass_C + 66.0 * kMass_H; // Dotriacontane
static const double kMass_C33H68 = 33.0 * kMass_C + 68.0 * kMass_H; // Tritriacontane
static const double kMass_C34H70 = 34.0 * kMass_C + 70.0 * kMass_H; // Tetratriacontane
static const double kMass_C35H72 = 35.0 * kMass_C + 72.0 * kMass_H; // Pentatriacontane


//static const double kMass_C4H8 = 4.0 * kMass_C + 8.0 * kMass_H; // Methylcyclopropane
//static const double kMass_C5H10 = 5.0 * kMass_C + 10.0 * kMass_H; // Cyclopentane
//static const double kMass_C6H12 = 6.0 * kMass_C + 12.0 * kMass_H; // Cyclohexane
//static const double kMass_C6H12 = 6.0 * kMass_C + 12.0 * kMass_H; // 1,1,2-trimethyl cyclopropane
//static const double kMass_C7H14 = 7.0 * kMass_C + 14.0 * kMass_H; // Cycloheptane
//static const double kMass_C8H16 = 8.0 * kMass_C + 16.0 * kMass_H; // Cyclooctane
//static const double kMass_C7H8 = 7.0 * kMass_C + 8.0 * kMass_H; // Toluene (methyl benzene)
//static const double kMass_C8H10 = 8.0 * kMass_C + 10.0 * kMass_H; // Ethyl Benzene
//static const double kMass_C8H10 = 8.0 * kMass_C + 10.0 * kMass_H; // Xylene-m (1,3-dimethyl benzene)

// alkenes
static const double kMass_C2H4 = 2.0 * kMass_C + 4.0 * kMass_H; // ethen
static const double kMass_C3H6 = 3.0 * kMass_C + 6.0 * kMass_H; // Propene (propylene)
static const double kMass_C4H8 = 4.0 * kMass_C + 8.0 * kMass_H; // Butene-1
static const double kMass_C5H10 = 5.0 * kMass_C + 10.0 * kMass_H; // Pentene-1
static const double kMass_C6H12 = 6.0 * kMass_C + 12.0 * kMass_H; // Hexene-1
static const double kMass_C5H8 = 5.0 * kMass_C + 8.0 * kMass_H; // Isoprene (2-methyl-1,3-butadiene)
static const double kMass_C6H10 = 6.0 * kMass_C + 10.0 * kMass_H; // 1,5-hexadiene

// alkines
static const double kMass_C2H2 = 2.0 * kMass_C + 2.0 * kMass_H; // ethin


// alkohohls
static const double kMass_CH3OH = kMass_C + 4.0 * kMass_H + kMass_O; // methanol
static const double kMass_C2H5OH = 2.0 * kMass_C + 6.0 * kMass_H + kMass_O; // ethanol
static const double kMass_C3H7OH = 3.0 * kMass_C + 8.0 * kMass_H + kMass_O; // propanol
static const double kMass_C4H9OH = 4.0 * kMass_C + 10.0 * kMass_H + kMass_O; // butanol



// ketones

// aldehydes

// carboxylic acids
static const double kMass_HCOOH = kMass_C + 2.0 * kMass_O + 2.0 * kMass_H; // Ameisens鋟re
static const double kMass_CH3COOH = 2.0 * kMass_C + 2.0 * kMass_O + 4.0 * kMass_H; // Essigs鋟re
static const double kMass_C2H5COOH = 3.0 * kMass_C + 2.0 * kMass_O + 6.0 * kMass_H; // Propions鋟re

// ethers

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


static const double kMass_C6H6 = 6.0 * kMass_C + 6.0 * kMass_H; // benzene
static const double kMass_C6H5CH3 = 6.0 * kMass_C + 5.0 * kMass_H + kMass_C + 3.0 * kMass_H; // Toluene (methyl benzene)
static const double kMass_C6H5C2H5 = 6.0 * kMass_C + 5.0 * kMass_H + 2.0 * kMass_C + 5.0 * kMass_H; // Ethyl Benzene

//static const double kMass_C5H8 Cyclopentene
static const double kMass_CH3NO2 = 1.0 * kMass_C + 3.0 * kMass_H + kMass_N + 2.0 * kMass_O; // Nitromethane
static const double kMass_C2H5NO2 = 2.0 * kMass_C + 5.0 * kMass_H + kMass_N + 2.0 * kMass_O; // Nitroethane

static const double kMass_C7H8 = 7.0 * kMass_C + 8.0 * kMass_H;

static const double kMass_C8H8 = 8.0 * kMass_C + 8.0 * kMass_H; // cuban

static const double kMass_C3H8O3 = 3.0 * kMass_C + 8.0 * kMass_H + 3.0 * kMass_O; // Glyzerin

// Terpentin鰈
static const double kMass_C10H16 = 10.0 * kMass_C + 16.0 * kMass_H;