Class: ChemData

ChemData_AtmNum

Constant :

ChemData_AtmNum = 6 :

integer, parameter

:

元素の数

ChemData_AtmSymbol

Variable :

ChemData_AtmSymbol(ChemData_AtmNum) :

character(2)

:

原子記号

ChemData_AtmWt

Variable :

ChemData_AtmWt(ChemData_AtmNum) :

real(8)

:	原子量 [kg/mol]

ChemData_Cp

Variable :

ChemData_Cp(ChemData_SpcNum, ChemData_DataNum) :

real(8)

:	比熱(単位質量) [J/K kg]

ChemData_CpPerMol

Variable :

ChemData_CpPerMol(ChemData_SpcNum, ChemData_DataNum) :

real(8)

:	比熱(モル当量) [J/K mol]

ChemData_CpPerMolRef

Variable :

ChemData_CpPerMolRef(ChemData_SpcNum) :

real(8)

:	標準状態の比熱(モル当量) [J/K mol]

ChemData_CpRef

Variable :

ChemData_CpRef(ChemData_SpcNum) :

real(8)

:	標準状態の比熱(単位質量) [J/K kg]

ChemData_Cp_Temp

Variable :

ChemData_Cp_Temp(ChemData_SpcNum, ChemData_DataNum) :

real(8)

:	比熱データに対応する温度[K]

ChemData_CvPerMolRef

Variable :

ChemData_CvPerMolRef(ChemData_SpcNum) :

real(8)

:	標準状態の比熱(モル当量) [J/K mol]

ChemData_CvRef

Variable :

ChemData_CvRef(ChemData_SpcNum) :

real(8)

:	標準状態の比熱(単位質量) [J/K kg]

ChemData_DataNum

Constant :

ChemData_DataNum = 16 :

integer, parameter

:

データ数

ChemData_Enthalpy

Variable :

ChemData_Enthalpy(ChemData_SpcNum) :

real(8)

:	基準エンタルピー[J/K mol]

ChemData_Entropy

Variable :

ChemData_Entropy(ChemData_SpcNum) :

real(8)

:	基準エントロピー[J/K mol]

ChemData_GasR

Variable :

ChemData_GasR(ChemData_SpcNum) :

real(8)

:	気体定数[J/K kg]

ChemData_Init( )

Subroutine :

物質の名前に対して番号付けを行い, その番号に対して諸々の物性値を割り当てる

[Source]

  subroutine ChemData_Init
    !
    ! 物質の名前に対して番号付けを行い, その番号に対して
    ! 諸々の物性値を割り当てる
    !

    !暗黙の型宣言禁止
    implicit none
    
    !内部変数
    integer        :: SNum, ANum1, ANum2, ANum3, RNum
    character(2)   :: AtmSymbol
    character(20)  :: SpcSymbol

    !-------------------------------------------------------------
    ! 元素, 分子名を配列に格納. 
    !-------------------------------------------------------------
    !原子記号 
    ChemData_AtmSymbol = (/ "H ", "He", "C ", "N ", "O ", "S " /)

    !原子量 (kg/mol). 
    ChemData_AtmWt = (/ 1.00794d-3, 4.002602d-3, 12.0107d-3, 14.00674d-3, 15.9994d-3, 32.066d-3 /) 

    !分子
    ChemData_SpcSymbol = (/ "N2-g   ", "H2-g   ", "He-g   ", "He-g   ", "H2O-g  ", "H2O-l  ", "H2O-s  ", "NH3-g  ", "NH3-s  ", "H2S-g  ", "NH4SH-s", "CO2-g  " /)

    !-------------------------------------------------------------
    ! それぞれの元素, 分子に対応する物性値を格納
    !-------------------------------------------------------------
    !初期化
    ChemData_MolWt       = 0.0d0
    ChemData_GasR        = 0.0d0 
    ChemData_Entropy     = 0.0d0
    ChemData_Enthalpy    = 0.0d0
    ChemData_SpcFormula  = 0.0d0
    ChemData_CpPerMol    = 0.0d0
    ChemData_Cp          = 0.0d0
    ChemData_Cp_Temp     = 0.0d0
    ChemData_CpPerMolRef = 0.0d0
    ChemData_CpRef       = 0.0d0
    ChemData_CvPerMolRef = 0.0d0
    ChemData_CvRef       = 0.0d0
    ChemData_SVapPress   = 0.0d0
    ChemData_SVapPress_Temp     = 0.0d0
    ChemData_SVapPress_AntoineA = 0.0d0
    ChemData_SVapPress_AntoineB = 0.0d0
    ChemData_SVapPress_AntoineC = 0.0d0
    ChemData_SVapPress_AntoineUnit = 0.0d0
    ChemData_SVapPress_AMPA = 0.0d0
    ChemData_SVapPress_AMPB = 0.0d0
    ChemData_SVapPress_AMPC = 0.0d0
    ChemData_SVapPress_AMPD = 0.0d0
    ChemData_SVapPress_AMPE = 0.0d0
    SNum = 0
    RNum = 0
    ANum1 = 0
    ANum2 = 0
    ANum3 = 0

    !!=============================================================
    !! N2-g に関する物性
    !!=============================================================
    SpcSymbol = 'N2-g'
    SNum  = ChemData_SearchSpc( SpcSymbol )
    AtmSymbol = 'N'
    ANum1 = ChemData_SearchAtm( AtmSymbol )

    !相
    ChemData_Phase(SNum) = 'Gas'

    !基準状態でのエントロピー 
    ChemData_Entropy(SNum) = 191.609d0

    !基準状態でのエンタルピー
    ChemData_Enthalpy(SNum) = 0.0d0

    !分子を構成する元素
    ChemData_SpcFormula(SNum,ANum1) = 2.0d0

    !分子量 [kg/mol]
    ChemData_MolWt(SNum) = dot_product(ChemData_AtmWt, ChemData_SpcFormula(SNum,:))
     
    !気体定数
    ChemData_GasR(SNum) = GasRUniv / ChemData_MolWt(SNum)

    !単位モル当たりの定圧比熱 [J/K mol]. 温度依存性を考慮
    ChemData_CpPerMol(SNum,1:9) = (/ 29.104d0, 29.107d0, 29.111d0, 29.124d0, 29.125d0, 29.165d0, 29.249d0, 29.387d0, 29.58d0 /)

    !単位質量当たりの定圧比熱 [J/K kg]. 温度依存性を考慮
    ChemData_Cp(SNum,:) = ChemData_CpPerMol(SNum,:) / ChemData_MolWt(SNum)

    !定圧比熱の温度依存性
    ChemData_Cp_temp(SNum,1:9) = (/ 100.0d0,  200.0d0,  250.0d0,  298.15d0, 300.0d0, 350.0d0,  400.0d0,  450.0d0,  500.0d0 /)

    !基準状態の配列要素の番号を求める
    RNum = ChemData_SearchRef(ChemData_Cp_temp(SNum,:))

    !基準状態での単位モル当たりの定圧比熱 [J/K mol]. 
    ChemData_CpPerMolRef(SNum) = ChemData_CpPerMol(SNum, RNum)
       
    !基準状態での単位質量当たりの定圧比熱 [J/K kg]. 
    ChemData_CpRef(SNum) = ChemData_Cp(SNum, RNum)

    !基準状態での単位モル当たりの定積比熱 [J/K mol]. 
    ChemData_CvPerMolRef(SNum) = ChemData_CpPerMol(SNum, RNum) - GasRUniv
    
    !基準状態での単位質量当たりの定積比熱 [J/K kg]. 
    ChemData_CvRef(SNum) = ChemData_CvPerMolRef(SNum) / ChemData_MolWt(SNum)


    !!=============================================================
    !! H2-g に関する物性
    !!=============================================================
    SpcSymbol = 'H2-g'
    SNum  = ChemData_SearchSpc( SpcSymbol)
    AtmSymbol = 'H'
    ANum1 = ChemData_SearchAtm( AtmSymbol)

    !相
    ChemData_Phase(SNum) = 'Gas'

    !基準状態でのエントロピー 
    ChemData_Entropy(SNum) = 130.68d0

    !基準状態でのエンタルピー
    ChemData_Enthalpy(SNum) = 0.0d0

    !分子を構成する元素
    ChemData_SpcFormula(SNum,ANum1) = 2.0d0

    !分子量 [kg/mol]
    ChemData_MolWt(SNum) = dot_product(ChemData_AtmWt, ChemData_SpcFormula(SNum,:))
     
    !気体定数
    ChemData_GasR(SNum) = GasRUniv / ChemData_MolWt(SNum)
    
    !単位モル当たりの定圧比熱 [J/K mol]. 温度依存性を考慮
    ChemData_CpPerMol(SNum,1:12) = (/ 20.65d0, 21.15d0, 22.46d0, 23.85d0, 25.18d0, 26.32d0, 27.17d0, 27.61d0, 28.03d0, 28.34d0, 28.57d0, 28.59d0 /)

    !単位質量当たりの定圧比熱 [J/K kg]. 温度依存性を考慮
    ChemData_Cp(SNum,:) = ChemData_CpPerMol(SNum,:) / ChemData_MolWt(SNum)

    !定圧比熱の温度依存性
    ChemData_Cp_temp(SNum,1:12) = (/ 50.0d0,    75.0d0, 100.0d0, 125.0d0, 150.0d0, 175.0d0,  200.0d0, 225.0d0, 250.0d0, 275.0d0, 298.15d0, 300.0d0 /)

    !基準状態の配列要素の番号を求める
    RNum = ChemData_SearchRef(ChemData_Cp_temp(SNum,:))

    !基準状態での単位モル当たりの定圧比熱 [J/K mol]. 
    ChemData_CpPerMolRef(SNum) = ChemData_CpPerMol(SNum, RNum)
        
    !基準状態での単位質量当たりの定圧比熱 [J/K kg]. 
    ChemData_CpRef(SNum) = ChemData_Cp(SNum, RNum)

    !基準状態での単位モル当たりの定積比熱 [J/K mol]. 
    ChemData_CvPerMolRef(SNum) = ChemData_CpPerMol(SNum, RNum) - GasRUniv
    
    !基準状態での単位質量当たりの定積比熱 [J/K kg]. 
    ChemData_CvRef(SNum) = ChemData_CvPerMolRef(SNum) / ChemData_MolWt(SNum)


    !!=============================================================
    !! CO2-g に関する物性
    !!=============================================================
    SpcSymbol = 'CO2-g'
    SNum  = ChemData_SearchSpc( SpcSymbol)
    AtmSymbol = 'C'
    ANum1 = ChemData_SearchAtm( AtmSymbol)
    AtmSymbol = 'O'
    ANum2 = ChemData_SearchAtm( AtmSymbol)

    !相
    ChemData_Phase(SNum) = 'Gas'

    !基準状態でのエントロピー 
    ChemData_Entropy(SNum) =  0.0d0   !要チェック

    !基準状態でのエンタルピー
    ChemData_Enthalpy(SNum) = 0.0d0

    !分子を構成する元素
    ChemData_SpcFormula(SNum,ANum1) = 1.0d0
    ChemData_SpcFormula(SNum,ANum2) = 2.0d0

    !分子量 [kg/mol]
    ChemData_MolWt(SNum) = dot_product(ChemData_AtmWt, ChemData_SpcFormula(SNum,:))
     
    !気体定数
    ChemData_GasR(SNum) = GasRUniv / ChemData_MolWt(SNum)
    
    !単位モル当たりの定圧比熱 [J/K mol]. 温度依存性を考慮
    ChemData_CpPerMol(SNum,1:5) = (/ 34.46d0, 32.3d0, 37.53d0, 41.44d0, 44.68d0 /)
    
    !単位質量当たりの定圧比熱 [J/K kg]. 温度依存性を考慮
    ChemData_Cp(SNum,:) = ChemData_CpPerMol(SNum,:) / ChemData_MolWt(SNum)

    !定圧比熱の温度依存性
    ChemData_Cp_temp(SNum,1:5) = (/ 200.0d0, 298.15d0, 300.0d0, 400.0d0, 500.0d0 /)

    !基準状態の配列要素の番号を求める
    RNum = ChemData_SearchRef(ChemData_Cp_temp(SNum,:))

    !基準状態での単位モル当たりの定圧比熱 [J/K mol]. 
    ChemData_CpPerMolRef(SNum) = ChemData_CpPerMol(SNum, RNum)
        
    !基準状態での単位質量当たりの定圧比熱 [J/K kg]. 
    ChemData_CpRef(SNum) = ChemData_Cp(SNum, RNum)

    !基準状態での単位モル当たりの定積比熱 [J/K mol]. 
    ChemData_CvPerMolRef(SNum) = ChemData_CpPerMol(SNum, RNum) - GasRUniv
    
    !基準状態での単位質量当たりの定積比熱 [J/K kg]. 
    ChemData_CvRef(SNum) = ChemData_CvPerMolRef(SNum) / ChemData_MolWt(SNum)


    !!=============================================================
    !! He-g に関する物性
    !!=============================================================
    SpcSymbol = 'He-g'
    SNum  = ChemData_SearchSpc( SpcSymbol)
    AtmSymbol = 'He'
    ANum1 = ChemData_SearchAtm( AtmSymbol)

    !相
    ChemData_Phase(SNum) = 'Gas'

    !基準状態でのエントロピー 
    ChemData_Entropy(SNum) = 0.0d0

    !基準状態でのエンタルピー
    ChemData_Enthalpy(SNum) = 0.0d0

    !分子を構成する元素
    ChemData_SpcFormula(SNum,ANum1) = 1.0d0

    !分子量 [kg/mol]
    ChemData_MolWt(SNum) = dot_product(ChemData_AtmWt, ChemData_SpcFormula(SNum,:))
     
    !気体定数
    ChemData_GasR(SNum) = GasRUniv / ChemData_MolWt(SNum)
    
    !単位モル当たりの定圧比熱 [J/K mol]. 温度依存性を考慮
    ChemData_CpPerMol(SNum,:) = 20.786d0

    !単位質量当たりの定圧比熱 [J/K kg]. 温度依存性を考慮
    ChemData_Cp(SNum,:) = ChemData_CpPerMol(SNum,:) / ChemData_MolWt(SNum)

    !定圧比熱の温度依存性
    ChemData_Cp_temp(SNum,1:12) = (/ 50.0d0,    75.0d0, 100.0d0, 125.0d0, 150.0d0, 175.0d0,  200.0d0, 225.0d0, 250.0d0, 275.0d0, 298.15d0, 300.0d0 /)

    !基準状態の配列要素の番号を求める
    RNum = ChemData_SearchRef(ChemData_Cp_temp(SNum,:))

    !基準状態での単位モル当たりの定圧比熱 [J/K mol]. 
    ChemData_CpPerMolRef(SNum) = ChemData_CpPerMol(SNum, RNum)
        
    !基準状態での単位質量当たりの定圧比熱 [J/K kg]. 
    ChemData_CpRef(SNum) = ChemData_Cp(SNum, RNum)

    !基準状態での単位モル当たりの定積比熱 [J/K mol]. 
    ChemData_CvPerMolRef(SNum) = ChemData_CpPerMol(SNum, RNum) - GasRUniv
    
    !基準状態での単位質量当たりの定積比熱 [J/K kg]. 
    ChemData_CvRef(SNum) = ChemData_CvPerMolRef(SNum) / ChemData_MolWt(SNum)


    !!=============================================================
    !! H2O-g に関する物性
    !!=============================================================
    SpcSymbol = 'H2O-g'
    SNum  = ChemData_SearchSpc( SpcSymbol)
    AtmSymbol = 'H'
    ANum1 = ChemData_SearchAtm( AtmSymbol)
    AtmSymbol = 'O'
    ANum2 = ChemData_SearchAtm( AtmSymbol)

    !相
    ChemData_Phase(SNum) = 'Gas'

    !基準状態でのエントロピー 
    ChemData_Entropy(SNum) = 188.834d0

    !基準状態でのエンタルピー
    ChemData_Enthalpy(SNum) = -2241826.0d0

    !分子を構成する元素
    ChemData_SpcFormula(SNum,ANum1) = 2.0d0
    ChemData_SpcFormula(SNum,ANum2) = 1.0d0

    !分子量 [kg/mol]
    ChemData_MolWt(SNum) = dot_product(ChemData_AtmWt, ChemData_SpcFormula(SNum,:))
    
    !気体定数
    ChemData_GasR(SNum) = GasRUniv / ChemData_MolWt(SNum)

    !単位モル当たりの定圧比熱 [J/K mol]. 温度依存性を考慮
    ChemData_CpPerMol(SNum,1:11) = (/ 33.299d0, 33.349d0, 33.590d0, 33.596d0, 34.262d0, 35.266d0, 36.325d0, 37.495d0, 38.721d0, 39.987d0, 41.268d0 /) 
    
    !単位質量当たりの定圧比熱 [J/K kg]. 温度依存性を考慮
    ChemData_Cp(SNum,:) = ChemData_CpPerMol(SNum,:) / ChemData_MolWt(SNum)
    
    !定圧比熱データに対応する温度
    ChemData_Cp_temp(SNum,1:11) = (/ 100.0d0,  200.0d0,  298.15d0, 300.0d0,  400.0d0, 500.0d0,  600.0d0,  700.0d0,  800.0d0,  900.0d0,  1000.0d0 /)
    
    !基準状態での定圧比熱
    RNum  = ChemData_SearchRef(ChemData_Cp_temp(SNum,:))

    !単位モル当たりの定圧比熱 [J/K mol].
    ChemData_CpPerMolRef(SNum) = ChemData_CpPerMol(SNum, RNum)
        
    !単位質量当たりの定圧比熱 [J/K kg]. 
    ChemData_CpRef(SNum) = ChemData_Cp(SNum, RNum)

    !単位モル当たりの定積比熱 [J/K mol]. 
    ChemData_CvPerMolRef(SNum) = ChemData_CpPerMol(SNum, RNum) - GasRUniv
    
    !単位質量当たりの定積比熱 [J/K kg]. 
    ChemData_CvRef(SNum) = ChemData_CvPerMolRef(SNum) / ChemData_MolWt(SNum)

    !!=============================================================
    !! H2O-l に関する物性
    !!=============================================================
    SpcSymbol = 'H2O-l'
    SNum  = ChemData_SearchSpc( SpcSymbol)
    AtmSymbol = 'H'
    ANum1 = ChemData_SearchAtm( AtmSymbol)
    AtmSymbol = 'O'
    ANum2 = ChemData_SearchAtm( AtmSymbol)

    !相
    ChemData_Phase(SNum) = 'Liq'

    !基準状態でのエントロピー 
    ChemData_Entropy(SNum) = 188.834d0

    !基準状態でのエンタルピー
    ChemData_Enthalpy(SNum) = -2241826.0d0

    !分子を構成する元素
    ChemData_SpcFormula(SNum,ANum1) = 2.0d0
    ChemData_SpcFormula(SNum,ANum2) = 1.0d0

    !分子量 [kg/mol]
    ChemData_MolWt(SNum) = dot_product(ChemData_AtmWt, ChemData_SpcFormula(SNum,:))
    
    !気体定数
    ChemData_GasR(SNum) = GasRUniv / ChemData_MolWt(SNum)

    !単位モル当たりの定圧比熱 [J/K mol]. 温度依存性を考慮
    ChemData_CpPerMol(SNum,1:11) = (/ 33.299d0, 33.349d0, 33.590d0, 33.596d0, 34.262d0, 35.266d0, 36.325d0, 37.495d0, 38.721d0, 39.987d0, 41.268d0 /) 
    
    !単位質量当たりの定圧比熱 [J/K kg]. 温度依存性を考慮
    ChemData_Cp(SNum,:) = ChemData_CpPerMol(SNum,:) / ChemData_MolWt(SNum)
    
    !定圧比熱データに対応する温度
    ChemData_Cp_temp(SNum,1:11) = (/ 100.0d0,  200.0d0,  298.15d0, 300.0d0,  400.0d0, 500.0d0,  600.0d0,  700.0d0,  800.0d0,  900.0d0,  1000.0d0 /)
    
    !基準状態での定圧比熱
    RNum  = ChemData_SearchRef(ChemData_Cp_temp(SNum,:))

    !単位モル当たりの定圧比熱 [J/K mol].
    ChemData_CpPerMolRef(SNum) = ChemData_CpPerMol(SNum, RNum)
        
    !単位質量当たりの定圧比熱 [J/K kg]. 
    ChemData_CpRef(SNum) = ChemData_Cp(SNum, RNum)

    !単位モル当たりの定積比熱 [J/K mol]. 
    ChemData_CvPerMolRef(SNum) = ChemData_CpPerMol(SNum, RNum) - GasRUniv
    
    !単位質量当たりの定積比熱 [J/K kg]. 
    ChemData_CvRef(SNum) = ChemData_CvPerMolRef(SNum) / ChemData_MolWt(SNum)

    !飽和蒸気圧 [Pa]
    ChemData_SvapPress(SNum,1:16) = (/ 610.749769736842d0, 1227.63236842105d0, 2337.94105263158d0, 4243.25101973684d0, 7376.72664473684d0, 12338.9851973684d0, 19923.6947368421d0, 31166.7700657895d0, 47364.1046052632d0, 70110.2338815789d0, 101325d0,           143268.217105263d0, 198530.338815789d0, 270111.118421053d0, 361356.947368421d0, 475974.1875d0 /)

    !飽和蒸気圧のデータに対応する温度
    ChemData_SvapPress_Temp(SNum,1:16) = (/ 273.15d0, 283.15d0, 293.15d0, 303.15d0, 313.15d0, 323.15d0, 333.15d0, 343.15d0, 353.15d0, 363.15d0, 373.15d0, 383.15d0, 393.15d0, 403.15d0, 413.15d0, 423.15d0 /)

    !Antoine の式の係数
    ChemData_SvapPress_AntoineA(SNum) =  7.9186968d0
    ChemData_SvapPress_AntoineB(SNum) =  1636.909d0
    ChemData_SvapPress_AntoineC(SNum) =  224.92d0
    ChemData_SvapPress_AntoineUnit(SNum) = dlog(133.322d0)

    !AMP 式の係数
    ChemData_SvapPress_AMPA(SNum) = -2313.0338d0
    ChemData_SvapPress_AMPB(SNum) = -164.03307d0
    ChemData_SvapPress_AMPC(SNum) =  38.053682d0
    ChemData_SvapPress_AMPD(SNum) = -0.13844344d0    
    ChemData_SvapPress_AMPE(SNum) =  7.4465367d-5


    !!=============================================================
    !! H2O-s に関する物性
    !!=============================================================
    SpcSymbol = 'H2O-s'
    SNum  = ChemData_SearchSpc( SpcSymbol)
    AtmSymbol = 'H'
    ANum1 = ChemData_SearchAtm( AtmSymbol)
    AtmSymbol = 'O'
    ANum2 = ChemData_SearchAtm( AtmSymbol)

    !相
    ChemData_Phase(SNum) = 'Sol'

    !基準状態でのエントロピー 
    ChemData_Entropy(SNum) = 188.834d0

    !基準状態でのエンタルピー
    ChemData_Enthalpy(SNum) = -2241826.0d0

    !分子を構成する元素
    ChemData_SpcFormula(SNum,ANum1) = 2.0d0
    ChemData_SpcFormula(SNum,ANum2) = 1.0d0

    !分子量 [kg/mol]
    ChemData_MolWt(SNum) = dot_product(ChemData_AtmWt, ChemData_SpcFormula(SNum,:))
    
    !気体定数
    ChemData_GasR(SNum) = GasRUniv / ChemData_MolWt(SNum)

    !単位モル当たりの定圧比熱 [J/K mol]. 温度依存性を考慮
    ChemData_CpPerMol(SNum,1:11) = (/ 33.299d0, 33.349d0, 33.590d0, 33.596d0, 34.262d0, 35.266d0, 36.325d0, 37.495d0, 38.721d0, 39.987d0, 41.268d0 /) 
    
    !単位質量当たりの定圧比熱 [J/K kg]. 温度依存性を考慮
    ChemData_Cp(SNum,:) = ChemData_CpPerMol(SNum,:) / ChemData_MolWt(SNum)
    
    !定圧比熱データに対応する温度
    ChemData_Cp_temp(SNum,1:11) = (/ 100.0d0,  200.0d0,  298.15d0, 300.0d0,  400.0d0, 500.0d0,  600.0d0,  700.0d0,  800.0d0,  900.0d0,  1000.0d0 /)
    
    !基準状態での定圧比熱
    RNum  = ChemData_SearchRef(ChemData_Cp_temp(SNum,:))

    !単位モル当たりの定圧比熱 [J/K mol].
    ChemData_CpPerMolRef(SNum) = ChemData_CpPerMol(SNum, RNum)
        
    !単位質量当たりの定圧比熱 [J/K kg]. 
    ChemData_CpRef(SNum) = ChemData_Cp(SNum, RNum)

    !単位モル当たりの定積比熱 [J/K mol]. 
    ChemData_CvPerMolRef(SNum) = ChemData_CpPerMol(SNum, RNum) - GasRUniv
    
    !単位質量当たりの定積比熱 [J/K kg]. 
    ChemData_CvRef(SNum) = ChemData_CvPerMolRef(SNum) / ChemData_MolWt(SNum)

    !飽和蒸気圧 [Pa]
    ChemData_SvapPress(SNum,1:15) = (/ 181.451743421053d0, 198.650328947368d0, 217.582105263158d0, 237.980427631579d0, 259.978618421053d0, 284.109967105263d0, 310.107828947368d0, 338.23884868421d0,  368.636348684211d0, 401.700296052632d0, 437.297368421053d0, 475.694210526316d0, 517.290789473684d0, 562.220427631579d0, 610.483125d0 /)

    !飽和蒸気圧のデータに対応する温度
    ChemData_SvapPress_Temp(SNum,1:15) = (/ 259.15d0, 260.15d0, 261.15d0, 262.15d0, 263.15d0, 264.15d0, 265.15d0, 266.15d0, 267.15d0, 268.15d0, 269.15d0, 270.15d0, 271.15d0, 272.15d0, 273.15d0  /)

    !Antoine の式の係数
    ChemData_SvapPress_AntoineA(SNum) =  8.184254d0
    ChemData_SvapPress_AntoineB(SNum) =  1791.3d0
    ChemData_SvapPress_AntoineC(SNum) =  238.1d0
    ChemData_SvapPress_AntoineUnit(SNum) = dlog(133.322d0)

    !AMP 式の係数
    ChemData_SvapPress_AMPA(SNum) = -5631.1206d0
    ChemData_SvapPress_AMPB(SNum) = -8.363602d0
    ChemData_SvapPress_AMPC(SNum) =  8.2312d0
    ChemData_SvapPress_AMPD(SNum) = -0.03861449d0
    ChemData_SvapPress_AMPE(SNum) =  2.77494d-5


    !!=============================================================
    !! NH3-g に関する物性
    !!=============================================================
    SpcSymbol = 'NH3-g'
    SNum  = ChemData_SearchSpc( SpcSymbol)
    AtmSymbol = 'H'
    ANum1 = ChemData_SearchAtm( AtmSymbol)
    AtmSymbol = 'N'
    ANum2 = ChemData_SearchAtm( AtmSymbol)
    
    !相
    ChemData_Phase(SNum) = 'Gas'

    !基準状態でのエントロピー 
    ChemData_Entropy(SNum) = 192.774d0

    !基準状態でのエンタルピー
    ChemData_Enthalpy(SNum) = -45898.0d0

    !分子を構成する元素
    ChemData_SpcFormula(SNum,ANum1) = 3.0d0
    ChemData_SpcFormula(SNum,ANum2) = 1.0d0

    !分子量 [kg/mol]
    ChemData_MolWt(SNum) = dot_product(ChemData_AtmWt, ChemData_SpcFormula(SNum,:))
    
    !気体定数
    ChemData_GasR(SNum) = GasRUniv / ChemData_MolWt(SNum)

    !単位モル当たりの定圧比熱 [J/K mol]. 温度依存性を考慮
    ChemData_CpPerMol(SNum,1:11) = (/ 33.284d0, 33.757d0, 35.652d0, 35.701d0, 38.716d0, 42.048d0, 45.293d0, 48.354d0, 51.235d0, 53.948d0, 56.491d0 /) 
    
    !単位質量当たりの定圧比熱 [J/K kg]. 温度依存性を考慮
    ChemData_Cp(SNum,:) = ChemData_CpPerMol(SNum,:) / ChemData_MolWt(SNum)
    
    !定圧比熱データに対応する温度
    ChemData_Cp_temp(SNum,1:11) = (/ 100.0d0,  200.0d0,  298.15d0, 300.0d0,  400.0d0, 500.0d0,  600.0d0,  700.0d0,  800.0d0,  900.0d0,  1000.0d0 /)
    
    !基準状態での定圧比熱
    RNum  = ChemData_SearchRef(ChemData_Cp_temp(SNum,:))

    !単位モル当たりの定圧比熱 [J/K mol].
    ChemData_CpPerMolRef(SNum) = ChemData_CpPerMol(SNum, RNum)
        
    !単位質量当たりの定圧比熱 [J/K kg]. 
    ChemData_CpRef(SNum) = ChemData_Cp(SNum, RNum)

    !単位モル当たりの定積比熱 [J/K mol]. 
    ChemData_CvPerMolRef(SNum) = ChemData_CpPerMol(SNum, RNum) - GasRUniv
    
    !単位質量当たりの定積比熱 [J/K kg]. 
    ChemData_CvRef(SNum) = ChemData_CvPerMolRef(SNum) / ChemData_MolWt(SNum)


    !!=============================================================
    !! NH3-s に関する物性
    !!=============================================================
    SpcSymbol = 'NH3-s'
    SNum  = ChemData_SearchSpc( SpcSymbol)
    AtmSymbol = 'H'
    ANum1 = ChemData_SearchAtm( AtmSymbol)
    AtmSymbol = 'N'
    ANum2 = ChemData_SearchAtm( AtmSymbol)
    
    !相
    ChemData_Phase(SNum) = 'Sol'

    !基準状態でのエントロピー 
    ChemData_Entropy(SNum) = 192.774d0

    !基準状態でのエンタルピー
    ChemData_Enthalpy(SNum) = -45898.0d0

    !分子を構成する元素
    ChemData_SpcFormula(SNum,ANum1) = 3.0d0
    ChemData_SpcFormula(SNum,ANum2) = 1.0d0

    !分子量 [kg/mol]
    ChemData_MolWt(SNum) = dot_product(ChemData_AtmWt, ChemData_SpcFormula(SNum,:))
    
    !気体定数
    ChemData_GasR(SNum) = GasRUniv / ChemData_MolWt(SNum)

    !単位モル当たりの定圧比熱 [J/K mol]. 温度依存性を考慮
    ChemData_CpPerMol(SNum,1:11) = (/ 33.284d0, 33.757d0, 35.652d0, 35.701d0, 38.716d0, 42.048d0, 45.293d0, 48.354d0, 51.235d0, 53.948d0, 56.491d0 /) 
    
    !単位質量当たりの定圧比熱 [J/K kg]. 温度依存性を考慮
    ChemData_Cp(SNum,:) = ChemData_CpPerMol(SNum,:) / ChemData_MolWt(SNum)
    
    !定圧比熱データに対応する温度
    ChemData_Cp_temp(SNum,1:11) = (/ 100.0d0,  200.0d0,  298.15d0, 300.0d0,  400.0d0, 500.0d0,  600.0d0,  700.0d0,  800.0d0,  900.0d0,  1000.0d0 /)
    
    !基準状態での定圧比熱
    RNum  = ChemData_SearchRef(ChemData_Cp_temp(SNum,:))

    !単位モル当たりの定圧比熱 [J/K mol].
    ChemData_CpPerMolRef(SNum) = ChemData_CpPerMol(SNum, RNum)
        
    !単位質量当たりの定圧比熱 [J/K kg]. 
    ChemData_CpRef(SNum) = ChemData_Cp(SNum, RNum)

    !単位モル当たりの定積比熱 [J/K mol]. 
    ChemData_CvPerMolRef(SNum) = ChemData_CpPerMol(SNum, RNum) - GasRUniv
    
    !単位質量当たりの定積比熱 [J/K kg]. 
    ChemData_CvRef(SNum) = ChemData_CvPerMolRef(SNum) / ChemData_MolWt(SNum)

    !飽和蒸気圧 [Pa]
    ChemData_SvapPress(SNum,1:4) = (/ 1333.22368421053d0, 2666.44736842105d0, 7999.34210526316d0, 13332.2368421053d0 /)

    !飽和蒸気圧のデータに対応する温度
    ChemData_SvapPress_Temp(SNum,1:4) = (/ 181.09d0, 187.37d0, 198.25d0, 203.76d0 /)

    !Antoine の式の係数
    ChemData_SvapPress_AntoineA(SNum) =  9.96382d0
    ChemData_SvapPress_AntoineB(SNum) =  1617.907d0 
    ChemData_SvapPress_AntoineC(SNum) =  272.55d0
    ChemData_SvapPress_AntoineUnit(SNum) = dlog(133.322d0)
    
    !AMP 式の係数
    ChemData_SvapPress_AMPA(SNum) = -4122.0d0
    ChemData_SvapPress_AMPB(SNum) = 41.67871d0
    ChemData_SvapPress_AMPC(SNum) = -1.8163d0
    ChemData_SvapPress_AMPD(SNum) = 0.0d0
    ChemData_SvapPress_AMPE(SNum) = 0.0d0
 

    !!=============================================================
    !! H2S-g に関する物性
    !!=============================================================
    SpcSymbol = 'H2S-g'
    SNum  = ChemData_SearchSpc( SpcSymbol)
    AtmSymbol = 'H'
    ANum1 = ChemData_SearchAtm( AtmSymbol)
    AtmSymbol = 'S'
    ANum2 = ChemData_SearchAtm( AtmSymbol)

    !相
    ChemData_Phase(SNum) = 'Gas'

    !基準状態でのエントロピー 
    ChemData_Entropy(SNum) = 205.757d0

    !基準状態でのエンタルピー
    ChemData_Enthalpy(SNum) = -20502.0d0

    !分子を構成する元素
    ChemData_SpcFormula(SNum,ANum1) = 2.0d0
    ChemData_SpcFormula(SNum,ANum2) = 1.0d0

    !分子量 [kg/mol]
    ChemData_MolWt(SNum) = dot_product(ChemData_AtmWt, ChemData_SpcFormula(SNum,:))
    
    !気体定数
    ChemData_GasR(SNum) = GasRUniv / ChemData_MolWt(SNum)

    !単位モル当たりの定圧比熱 [J/K mol]. 温度依存性を考慮
    ChemData_CpPerMol(SNum,1:11) = (/ 33.259d0, 33.38d0, 34.192d0, 34.208d0, 35.581d0, 37.192d0, 38.936d0, 40.74d0, 42.518d0, 44.212d0, 45.786d0 /)
    
    !単位質量当たりの定圧比熱 [J/K kg]. 温度依存性を考慮
    ChemData_Cp(SNum,:) = ChemData_CpPerMol(SNum,:) / ChemData_MolWt(SNum)
    
    !定圧比熱データに対応する温度
    ChemData_Cp_temp(SNum,1:11) = (/ 100.0d0,  200.0d0,  298.15d0, 300.0d0,  400.0d0, 500.0d0,  600.0d0,  700.0d0,  800.0d0,  900.0d0,  1000.0d0 /)
    
    !基準状態での定圧比熱
    RNum  = ChemData_SearchRef(ChemData_Cp_temp(SNum,:))

    !単位モル当たりの定圧比熱 [J/K mol].
    ChemData_CpPerMolRef(SNum) = ChemData_CpPerMol(SNum, RNum)
        
    !単位質量当たりの定圧比熱 [J/K kg]. 
    ChemData_CpRef(SNum) = ChemData_Cp(SNum, RNum)

    !単位モル当たりの定積比熱 [J/K mol]. 
    ChemData_CvPerMolRef(SNum) = ChemData_CpPerMol(SNum, RNum) - GasRUniv
    
    !単位質量当たりの定積比熱 [J/K kg]. 
    ChemData_CvRef(SNum) = ChemData_CvPerMolRef(SNum) / ChemData_MolWt(SNum)
    
    !!=============================================================
    !! NH4SH-s に関する物性
    !!=============================================================
    SpcSymbol = 'NH4SH-s'
    SNum  = ChemData_SearchSpc( SpcSymbol)
    AtmSymbol = 'H'
    ANum1 = ChemData_SearchAtm( AtmSymbol)
    AtmSymbol = 'N'
    ANum2 = ChemData_SearchAtm( AtmSymbol)
    AtmSymbol = 'S'
    ANum3 = ChemData_SearchAtm( AtmSymbol)

    !相
    ChemData_Phase(SNum) = 'Sol'

!    !基準状態でのエントロピー 
!    ChemData_Entropy(SNum) =
!
!    !基準状態でのエンタルピー
!    ChemData_Enthalpy(SNum) =

    !分子を構成する元素
    ChemData_SpcFormula(SNum,ANum1) = 5.0d0
    ChemData_SpcFormula(SNum,ANum2) = 1.0d0
    ChemData_SpcFormula(SNum,ANum3) = 1.0d0

    !分子量 [kg/mol]
    ChemData_MolWt(SNum) = dot_product(ChemData_AtmWt, ChemData_SpcFormula(SNum,:))
    
    !気体定数
    ChemData_GasR(SNum) = GasRUniv / ChemData_MolWt(SNum)

    !単位モル当たりの定圧比熱 [J/K mol]. 温度依存性を考慮
    ChemData_CpPerMol(SNum,1) = 34.922d0
    
    !単位質量当たりの定圧比熱 [J/K kg]. 温度依存性を考慮
    ChemData_Cp(SNum,:) = ChemData_CpPerMol(SNum,:) / ChemData_MolWt(SNum)
    
    !定圧比熱データに対応する温度
    ChemData_Cp_temp(SNum,1) = 298.15d0
    
    !基準状態での定圧比熱
    RNum  = ChemData_SearchRef(ChemData_Cp_temp(SNum,:))

    !単位モル当たりの定圧比熱 [J/K mol].
    ChemData_CpPerMolRef(SNum) = ChemData_CpPerMol(SNum, RNum)
        
    !単位質量当たりの定圧比熱 [J/K kg]. 
    ChemData_CpRef(SNum) = ChemData_Cp(SNum, RNum)

    !単位モル当たりの定積比熱 [J/K mol]. 
    ChemData_CvPerMolRef(SNum) = ChemData_CpPerMol(SNum, RNum) - GasRUniv
    
    !単位質量当たりの定積比熱 [J/K kg]. 
    ChemData_CvRef(SNum) = ChemData_CvPerMolRef(SNum) / ChemData_MolWt(SNum)
    
    !飽和蒸気圧 [Pa]
    ChemData_SvapPress(SNum,1:9) = (/ 133.322368421053d0, 666.611842105263d0, 1333.22368421053d0, 2666.44736842105d0, 7999.34210526316d0, 13332.2368421053d0, 26664.4736842105d0, 53328.9473684211d0, 101325d0           /)   
    
    !飽和蒸気圧のデータに対応する温度
    ChemData_SvapPress_Temp(SNum,1:9) = (/ 222.05d0, 237.15d0, 244.45d0, 252.35d0, 266.15d0, 273.15d0, 283.65d0, 294.95d0, 306.45d0 /)
    
    !Antoine の式の係数 (JANAF Chemical WebBook より)
    !但し, 計算コードとの整合性より C 係数は 273.15 [K] 加えてある.
    ChemData_SvapPress_AntoineA(SNum) =  6.09146d0
    ChemData_SvapPress_AntoineB(SNum) =  1598.378 
    ChemData_SvapPress_AntoineC(SNum) =  -43.805d0 + Temp0C
    ChemData_SvapPress_AntoineUnit(SNum) = dlog(1.0d5)
    
  end subroutine ChemData_Init

ChemData_MolWt

Variable :

ChemData_MolWt(ChemData_SpcNum) :

real(8)

:	分子量 [kg/mol]

ChemData_OneSpcID( SpcSymbol ) result(ChemData_OneSpcID)

*Function* :
`ChemData_OneSpcID` :	`integer`
`SpcSymbol` :	`character(20), intent(in)`

文字として与えられた化学種名から, その化学種の配列添え字を得る配列の大きさを引数として与える必要があることに注意.

[Source]

  function ChemData_OneSpcID( SpcSymbol )
    !
    ! 文字として与えられた化学種名から, その化学種の配列添え字を得る
    ! 配列の大きさを引数として与える必要があることに注意.
    !

    !暗黙の型宣言禁止
    implicit none

    !入出力変数
    integer                   :: ChemData_OneSpcID
    character(20), intent(in) :: SpcSymbol
    
    !内部変数
    integer                  :: j

    !初期化
    ChemData_OneSpcID = 0.0d0

    !探査
    Search: do j = 1, size(ChemData_SpcSymbol,1)
      if (ChemData_SpcSymbol(j) == SpcSymbol) then 
        ChemData_OneSpcID = j
        exit Search
      end if
    end do Search

  end function ChemData_OneSpcID

ChemData_Phase

Variable :

ChemData_Phase(ChemData_SpcNum) :

character(3)

:

相

ChemData_SVapPress

Variable :

ChemData_SVapPress(ChemData_SpcNum, ChemData_DataNum) :

real(8)

:	飽和蒸気圧 [Pa]

ChemData_SVapPress_AMPA

Variable :

ChemData_SVapPress_AMPA(ChemData_SpcNum) :

real(8)

:	Antoine 式の A 係数

ChemData_SVapPress_AMPB

Variable :

ChemData_SVapPress_AMPB(ChemData_SpcNum) :

real(8)

:	Antoine 式の B 係数

ChemData_SVapPress_AMPC

Variable :

ChemData_SVapPress_AMPC(ChemData_SpcNum) :

real(8)

:	Antoine 式の C 係数

ChemData_SVapPress_AMPD

Variable :

ChemData_SVapPress_AMPD(ChemData_SpcNum) :

real(8)

:	Antoine 式の C 係数

ChemData_SVapPress_AMPE

Variable :

ChemData_SVapPress_AMPE(ChemData_SpcNum) :

real(8)

:	Antoine 式の単位変換用の係数

ChemData_SVapPress_AntoineA

Variable :

ChemData_SVapPress_AntoineA(ChemData_SpcNum) :

real(8)

:	Antoine 式の A 係数

ChemData_SVapPress_AntoineB

Variable :

ChemData_SVapPress_AntoineB(ChemData_SpcNum) :

real(8)

:	Antoine 式の B 係数

ChemData_SVapPress_AntoineC

Variable :

ChemData_SVapPress_AntoineC(ChemData_SpcNum) :

real(8)

:	Antoine 式の C 係数

ChemData_SVapPress_AntoineUnit

Variable :

ChemData_SVapPress_AntoineUnit(ChemData_SpcNum) :

real(8)

:	Antoine 式の単位変換用の係数

ChemData_SVapPress_Temp

Variable :

ChemData_SVapPress_Temp(ChemData_SpcNum, ChemData_DataNum) :

real(8)

:	飽和蒸気圧データに対応する温度 [K]

ChemData_SearchAtm( var ) result(ChemData_SearchAtm)

*Function* :
`ChemData_SearchAtm` :	`integer`
`var` :	`character(2), intent(in)`

名前の検索エンジン

[Source]

  function ChemData_SearchAtm(var)
    !
    ! 名前の検索エンジン
    !

    !暗黙の型宣言禁止
    implicit none

    !入出力変数
    integer                  :: ChemData_SearchAtm
    character(2), intent(in) :: var

    !内部変数
    integer                  :: i

    !探査
    Search: do i = 1, ChemData_AtmNum
      if (trim(ChemData_AtmSymbol(i)) == trim(var)) then 

        ChemData_SearchAtm = i
        exit Search
      end if
    end do Search
    
  end function ChemData_SearchAtm

ChemData_SearchRef( array ) result(ChemData_SearchRef)

*Function* :
`ChemData_SearchRef` :	`integer`
`array(:)` :	`real(8), intent(in)`

名前の検索エンジン

[Source]

  function ChemData_SearchRef( array )
    !
    ! 名前の検索エンジン
    !

    !暗黙の型宣言禁止
    implicit none

    !入出力変数
    integer                  :: ChemData_SearchRef
    real(8), intent(in)      :: array(:)
    
    !内部変数
    integer                  :: i
    
    !探査
    Search: do i = 1, size(array,1)
      if (array(i) == TempRef) then 
        ChemData_SearchRef = i
        exit Search
      end if
    end do Search
    
  end function ChemData_SearchRef

ChemData_SearchSpc( var ) result(ChemData_SearchSpc)

*Function* :
`ChemData_SearchSpc` :	`integer`
`var` :	`character(20), intent(in)`

名前の検索エンジン

[Source]

  function ChemData_SearchSpc(var)
    !
    ! 名前の検索エンジン
    !

    !暗黙の型宣言禁止
    implicit none

    !入出力変数
    integer                   :: ChemData_SearchSpc
    character(20), intent(in) :: var
    
    !内部変数
    integer                  :: i

    !探査
    Search: do i = 1, ChemData_SpcNum
      
      if (trim(ChemData_SpcSymbol(i)) == trim(var)) then 
        ChemData_SearchSpc = i
        exit Search
      end if
    end do Search
    
  end function ChemData_SearchSpc

ChemData_SpcFormula

Variable :

ChemData_SpcFormula(ChemData_SpcNum,ChemData_AtmNum) :

integer

:	分子を構成する元素の個数

ChemData_SpcID( SpcNum, SpcSymbol ) result(ChemData_SpcID)

*Function* :
`ChemData_SpcID(SpcNum)` :	`integer`
`SpcNum` :	`integer, intent(in)`
`SpcSymbol(SpcNum)` :	`character(20), intent(in)`

文字として与えられた化学種名から, その化学種の配列添え字を得る配列の大きさを引数として与える必要があることに注意.

[Source]

  function ChemData_SpcID( SpcNum, SpcSymbol )
    !
    ! 文字として与えられた化学種名から, その化学種の配列添え字を得る
    ! 配列の大きさを引数として与える必要があることに注意.
    !

    !暗黙の型宣言禁止
    implicit none

    !入出力変数
    integer, intent(in)       :: SpcNum
    character(20), intent(in) :: SpcSymbol(SpcNum)
    integer                   :: ChemData_SpcID(SpcNum)
    
    !内部変数
    integer                  :: i, j

    !初期化
    ChemData_SpcID = 0.0d0

!    write(*,*) SpcNum, SpcSymbol(SpcNum)

    !探査
    do i = 1, size(SpcSymbol,1)
      Search: do j = 1, size(ChemData_SpcSymbol,1)
        if (ChemData_SpcSymbol(j) == SpcSymbol(i)) then 
          ChemData_SpcID(i) = j
          exit Search
        end if
      end do Search
    end do

  end function ChemData_SpcID

ChemData_SpcNum

Constant :

ChemData_SpcNum = 12 :

integer, parameter

:

化学種の数

ChemData_SpcSymbol

Variable :

ChemData_SpcSymbol(ChemData_SpcNum) :

character(20)

:

分子記号

GasRUniv

Constant :

GasRUniv = 8.314d0 :

real(8), parameter

:

普遍気体定数

PressRef

Constant :

PressRef = 1.0d5 :

real(8), parameter

:

標準圧力 [Pa]

Temp0C

Constant :

Temp0C = 273.15d0 :

real(8), parameter

:	0 度での温度 [K]

TempRef

Constant :

TempRef = 298.15d0 :

real(8), parameter

:

標準温度 [K]

Methods

Public Instance methods