def calcBlack(clsEOS,dicSAM,clsBLK,clsUNI,clsIO) :
sim3 = clsBLK.tSim[:3]
#== Set Output File Name [rootName.sim] ===============================
if sim3 == "CMG" :
if not clsIO.qIMX :
pathIMX = clsIO.patR + ".imex"
fIMX = open(pathIMX,'w')
clsIO.setQIMX(True)
clsIO.setFIMX(fIMX)
else :
fIMX = clsIO.fIMX
fSim = clsIO.fIMX
sCom = "**"
elif sim3 == "TEM" :
if not clsIO.qMOR :
pathMOR = clsIO.patR + ".mor"
fMOR = open(pathMOR,'w')
clsIO.setQMOR(True)
clsIO.setFMOR(fMOR)
else :
fMOR = clsIO.fMOR
fSim = clsIO.fMOR
sCom = "--"
elif sim3 == "VIP" :
if not clsIO.qVIP :
pathVIP = clsIO.patR + ".vip"
fVIP = open(pathVIP,'w')
clsIO.setQVIP(True)
clsIO.setFVIP(fVIP)
else :
fVIP = clsIO.fVIP
fSim = clsIO.fVIP
sCom = "C "
elif sim3 == "ECL" :
if not clsIO.q100 :
path100 = clsIO.patR + ".e100"
f100 = open(path100,'w')
clsIO.setQ100(True)
clsIO.setF100(f100)
else :
f100 = clsIO.f100
fSim = clsIO.f100
sCom = "--"
#-- Write Header Information to Simulator File ----------------------
WO.outputHeader(fSim,sCom,clsIO)
WO.outputEOS(fSim,sCom,clsIO,clsEOS)
#== Initialisation ====================================================
print("calcBlack: Entered")
qLiq = True ; qVap = False
iLiq = 1 ; iVap = -1
iSam = clsBLK.sNum
nCom = clsEOS.nComp
clsSAM = dicSAM[iSam]
Z = NP.zeros(nCom)
for iC in range(nCom) : Z[iC] = clsSAM.gZI(iC)
sNam = dicSAM[iSam].sNam
clsBLK.setSamp(iSam,sNam) #-- Store the name
xTyp = clsBLK.xTyp
tRes = clsBLK.Tres
pSep = clsBLK.pSep
tSep = clsBLK.tSep
#-- Has User Defined Non-Standard Wiring for the Stage Order? -------
if clsBLK.qLsep : Lsep = clsBLK.Lsep
else : Lsep = []
if clsBLK.qVsep : Vsep = clsBLK.Vsep
else : Vsep = []
#print("calcBlack: pSep,tSep,Lsep,Vsep ",pSep,tSep,Lsep,Vsep)
#-- Brine Density at Standard (Stock Tank) Conditions ---------------
pStc = UT.pStand #-- Standard Pressure [psia]
tStc = UT.tStand #-- Standard Temperature [degR = 60.0 degF]
mFrc = clsBLK.bSalt #-- Mass Fraction of Salt in the Brine
dSTW,comW = CW.calcRoweChouDen(mFrc,tStc,pStc,clsUNI) #-- Stock Tank Brine Density
clsBLK.setDenSTW(dSTW)
#-- Brine Properties at Reference Pressure & Tres (for PVTW keyword)
CW.calcPVTW(clsBLK,clsUNI,clsIO)
#======================================================================
# Saturation Pressure Stage: Find Psat
#======================================================================
clsEOS.eosCoefsNoPT()
#-- This experiment at varying temperature so set when needed -------
pMea = -1.0
qBub = None
pSat = None
logK = NP.empty(nCom)
qBub,pSat,Ksat = CS.calcPsat(pMea,tRes,qBub,pSat,logK,clsEOS,clsSAM,clsIO)
clsBLK.Psat = pSat
Xsat = NP.zeros(nCom)
Ysat = NP.zeros(nCom)
if qBub :
Xsat = NP.copy(Z)
Ysat = NP.multiply(Z,Ksat)
else :
Xsat = NP.divide(Z,Ksat)
Ysat = NP.copy(Z)
Xsat = UT.Norm(Xsat) ; Ysat = UT.Norm(Ysat)
#-- Properties of the Feed and Incipient Phases at Psat -------------
Mx,Vx,Dx,Zx,Ux,Cx,Wx = CE.calcProps(iLiq,pSat,tRes,Xsat,clsEOS)
My,Vy,Dy,Zy,Uy,dS,dS = CE.calcProps(iVap,pSat,tRes,Ysat,clsEOS)
UgDew = Uy
#== Flash the Psat Liquid & Vapour through the Separator Train ========
if qBub : Vsat = Vx
else : Vsat = Vy
Doo,Dgo,Rs,Bo,Bd,ySTG = \
BO.sepFlash(iLiq,pSep,tSep,Lsep,Vsep,Xsat,Vx,clsEOS,clsIO)
Dog,Dgg,Rv,Bg,Bd,ySTG = \
BO.sepFlash(iVap,pSep,tSep,Lsep,Vsep,Ysat,Vy,clsEOS,clsIO)
Md,Vd,Dd,Zd,Ud,dS,dS = CE.calcProps(iVap,pSat,tRes,ySTG,clsEOS)
Bd = BO.gasFVF(pSat,tRes,Zd)
RsSat = Rs #-- Store the Saturated GOR & CGR
RvSat = Rv
#-- Stock Tank Densities from Saturated Stage depending on Type -----
if qBub :
dSTO = Doo
dSTG = Dgo
else :
dSTO = Dog
dSTG = Dgg
dTab = [] #-- Stores all Saturated data
pTab = [] #-- Will store all values of Pres (including those > Psat)
dRow = [pSat,Rs,Bo,Ux,Cx,Wx,Rv,Bg,Uy,Bd,Ud]
dTab.append(dRow)
#== Setup Pressure Nodes in the Tables ================================
pMax = clsBLK.Pmax
pMin = clsBLK.Pmin
pInc = clsBLK.Pinc
pRes = pMax
qIns = True
#======================================================================
# Build pTab-Array
#======================================================================
while pRes >= pMin :
if pRes > pSat : #-- Above Psat
pTab.append(pRes)
else :
if qIns : #-- Insert Psat
pTab.append(pSat)
qIns = False
pTab.append(pRes) #-- Below Psat
pRes = pRes - pInc #-- Decrement Pressure
#-- Total number of stages (pressure nodes) -------------------------
nPrs = len(pTab)
#======================================================================
# Depletion Stages
#======================================================================
if qBub : vEst = 0.0
else : vEst = 1.0
zTot = 1.0
pRes = pMax
qIns = True
while pRes >= pMin :
#-- Above Psat ------------------------------------------------------
if pRes > pSat :
pass
else :
#-- Psat-Row? -------------------------------------------------------
if qIns :
qIns = False
#-- This experiment at varying temperature so set when needed -------
V,K,X,Y = CF.calcFlash(pRes,tRes,Z,vEst,clsEOS,clsIO)
vEst = V
Moil,Vliq,dLiq,Zoil,Uoil,Coil,Viso = CE.calcProps(iLiq,pRes,tRes,X,clsEOS)
Mgas,Vvap,dVap,Zgas,Ugas,dumS,dumS = CE.calcProps(iVap,pRes,tRes,Y,clsEOS)
zGas = zTot* V
zOil = zTot*(1.0-V)
Xsep = NP.copy(X) #-- Local copies of (X,Y) to flash thru Seps
Ysep = NP.copy(Y)
#-- Flash Liquid thru the Separator Train ---------------------------
Doo,Dgo,Rs,Bo,Bd,ySTG = \
BO.sepFlash(iLiq,pSep,tSep,Lsep,Vsep,Xsep,Vliq,clsEOS,clsIO)
#-- Flash Vapour thru the Separator Train ---------------------------
Dog,Dgg,Rv,Bg,Bd,ySTG = \
BO.sepFlash(iVap,pSep,tSep,Lsep,Vsep,Ysep,Vvap,clsEOS,clsIO)
#Ud,dumm = CE.calcLBCderv(tRes,dVap,ySTG,clsEOS) #-- Dry Gas Visc at pRes
Md,Vd,Dd,Zd,Ud,dS,dS = CE.calcProps(iVap,pRes,tRes,ySTG,clsEOS)
Bd = BO.gasFVF(pRes,tRes,Zd)
#== Modify the Moles to Next Stage, Depending on Depletion Type =======
Voil = zOil*Vliq
Vgas = zGas*Vvap
Vtot = Voil + Vgas
Vrem = Vtot - Vsat
zRem = pRes*Vrem/(Zgas*UT.gasCon*tRes)
if xTyp == "CCE" :
pass
elif xTyp == "CVD" :
for iC in range(nCom) : Z[iC] = (zTot*Z[iC] - zRem*Y[iC])/(zTot - zRem)
zTot = zTot - zRem
elif xTyp == "DLE" :
Z = NP.copy(X)
zTot = zTot - zGas
dRow = [pRes,Rs,Bo,Uoil,Coil,Viso,Rv,Bg,Ugas,Bd,Ud]
dTab.append(dRow)
#== Decrement Pressure and Continue ===================================
pRes = pRes - pInc
#== Work Arrays for "Back-Up" Fits ====================================
nSat = len(dTab)
X = NP.zeros(nSat)
Y = NP.zeros(nSat)
#======================================================================
# Slope and Intercept of the (assumed linear) Bo versus Rs
#======================================================================
for i in range(nSat) :
X[i] = dTab[i][clsBLK.iRs]
Y[i] = dTab[i][clsBLK.iBo]
slope,inter = UT.linearFit(X,Y)
clsBLK.BoS = slope
clsBLK.BoI = inter
#======================================================================
# Slope and Intercept of the (assumed exp) Muo versus Rs
#======================================================================
for i in range(nSat) :
X[i] = dTab[i][clsBLK.iRs]
Y[i] = log(dTab[i][clsBLK.iUo])
slope,logIn = UT.linearFit(X,Y)
inter = exp(logIn)
clsBLK.UoS = slope
clsBLK.UoI = inter
#======================================================================
# Slope and Intercept of the (assumed linear) co.p versus Rs
#======================================================================
for i in range(nSat) :
X[i] = dTab[i][clsBLK.iRs]
Y[i] = dTab[i][clsBLK.iCo]*dTab[i][clsBLK.iPr]
slope,inter = UT.linearFit(X,Y)
clsBLK.CoS = slope
clsBLK.CoI = inter
#======================================================================
# Stock Tank Oil and Gas Properties
#======================================================================
mSTO,oGrv = BP.initOilProps(dSTO,clsBLK)
mSTG,gGrv = BP.initGasProps(dSTG,clsBLK)
clsBLK.mSTO = mSTO
clsBLK.mSTG = mSTG
cCon = (dSTO/mSTO)*(UT.gasCon*UT.tStand/UT.pStand) #-- Singh et al Eqn.(14)
clsBLK.Co = cCon
#== Output Header =====================================================
WB.outputHeaderBO(fSim,iSam,sNam,clsBLK,clsIO,clsUNI)
#======================================================================
# Generate the Saturated Oil and Gas STO Mole Fractions
#======================================================================
cTab = [] #-- Table used to store 'calculated' data
for iPrs in range(nSat) :
Pr = dTab[iPrs][clsBLK.iPr]
Rs = dTab[iPrs][clsBLK.iRs] ; Bo = dTab[iPrs][clsBLK.iBo]
Rv = dTab[iPrs][clsBLK.iRv] ; Bg = dTab[iPrs][clsBLK.iBg]
denO = BP.denOil(dSTO,dSTG,Rs,Bo)
denG = BP.denGas(dSTO,dSTG,Rv,Bg)
xLiq = cCon/(cCon + Rs)
yLiq = cCon/(cCon + 1.0/Rv)
Mliq = BP.phaseMw(mSTG,mSTO,xLiq)
Mvap = BP.phaseMw(mSTG,mSTO,yLiq)
Vliq = Mliq/denO
Vvap = Mvap/denG
cRow = [xLiq,yLiq,denO,denG,Vliq,Vvap]
cTab.append(cRow)
#print("Pr,xO,yO,Vl,Vv {:10.3f}{:8.5f}{:8.5f}{:8.4f}{:8.4f}".format(Pr,xLiq,yLiq,Vliq,Vvap))
#======================================================================
# Check the Oil Viscosity versus Pressure trend is physical
# It can go wrong for condensates
#======================================================================
qMonV = BP.oilViscMono(dTab,clsBLK)
qMonC = BP.oilCompMono(dTab,clsBLK)
#print("calcBlack: qMonv,qMonC ",qMonV,qMonC)
#== Initialise Extension Method =========================================
clsBLK.RT = UT.gasCon*tRes #-- RT
nEOS = clsBLK.nEOS
clsBLK.EOS1["sOil"] = 0.5
clsBLK.EOS1["sGas"] = 0.5
#========================================================================
# Fit the 2-Component (STO & STG) EoS Parameters to Saturated Data
#========================================================================
sOil,sGas = \
BE.regEoSData(dTab,cTab,dicSAM,clsEOS,clsBLK,clsIO)
#========================================================================
# Fit the 2-Component (STO & STG) Viscosity Parameters to Saturated Data
#========================================================================
rOil,rGas = \
BV.regViscData(dTab,cTab,dicSAM,clsEOS,clsBLK,clsIO)
#========================================================================
# Calculate Convergence Pressure: Re-Set Saturated (sOil,sGas)
#========================================================================
BO.setEoSVis(0,sOil,sGas,rOil,rGas,clsBLK)
pCon = BO.convPressure(dTab,clsBLK)
if pCon < pMax : pCon = pMax
KoSat,KgSat,mO,mG = BO.extendTable(pSat,pCon,dTab,clsBLK)
RsMax,RvMax = BO.calcRsRv(cCon,pCon,pSat,KoSat,KgSat,mO,mG)
#== Extended Data =====================================================
eTab = []
uLst = dTab[0][clsBLK.iUo]
iRow = 0
for iExt in range(len(pTab)) :
if pTab[iExt] > pSat :
pRes = pTab[iExt]
RTp = clsBLK.RT/pRes
Rs,Rv = BO.calcRsRv(cCon,pRes,pSat,KoSat,KgSat,mO,mG)
Bo,Uo = BO.calcSatProp(qLiq,RTp,cCon,dSTO,dSTG,Rs ,clsBLK)
Co,Vo = BO.calcComp(qLiq,RTp,cCon,dSTO,dSTG,Rs,Bo,Uo,clsBLK)
Bg,Ug = BO.calcSatProp(qVap,RTp,cCon,dSTO,dSTG,Rv ,clsBLK)
Bd,Ud = BO.calcSatProp(qVap,RTp,cCon,dSTO,dSTG,0.0,clsBLK)
#-- For condensates, Uo can go astray -------------------------------
if Uo > uLst : Ux = clsBLK.UoI*exp(Rs*clsBLK.UoS)
Uo = Ux
uLst = Uo
eRow = [pRes,Rs,Bo,Uo,Co,Vo,Rv,Bg,Ug,Bd,Ud]
eTab.append(eRow)
#========================================================================
# Oil and Gas Output depends on Simulator Type
#========================================================================
qDep = clsBLK.qDep
if sim3 == "TEM" :
BM.outMORE(fSim,dTab,eTab,sOil,sGas,rOil,rGas,qMonV,clsBLK,clsUNI,clsIO)
if not qDep : clsIO.qMOR = UT.closeFile(fSim)
elif sim3 == "CMG" :
BI.outIMEX(fSim,dTab,eTab,sOil,sGas,rOil,rGas,qMonV,clsBLK,clsUNI,clsIO)
if not qDep : clsIO.qIMX = UT.closeFile(fSim)
elif sim3 == "VIP" :
BN.outVIP( fSim,dTab,eTab,sOil,sGas,rOil,rGas,qMonV,clsBLK,clsUNI,clsIO)
if not qDep : clsIO.qVIP = UT.closeFile(fSim)
else :
B1.outE100(fSim,dTab,eTab,sOil,sGas,rOil,rGas,qMonV,clsBLK,clsUNI,clsIO)
if not qDep : clsIO.q100 = UT.closeFile(fSim)
#========================================================================
# Composition versus Depth Calculation?
#========================================================================
if qDep :
BG.blackGrad(clsEOS,dicSAM,clsBLK,clsUNI,clsIO)
clsIO.q100 = UT.closeFile(fSim)
#========================================================================
# End of Routine
#========================================================================
print("calcBlack: Finished")
return
def writeMORE(ZMFvD, clsEOS, dicSAM, clsCMP, clsIO, clsUNI):
#-- Initialisation --------------------------------------------------
sCom = "--"
nCom = clsEOS.nComp
dVec = NP.zeros(nCom)
#-- Open the MORE File, if not already open ------------------------
if not clsIO.qMOR:
pathMOR = clsIO.patR + ".mor"
fMOR = open(pathMOR, 'w')
clsIO.setQMOR(True)
clsIO.setFMOR(fMOR)
else:
fMOR = clsIO.fMOR
#== Headers ===========================================================
print("Writing Compositional Description for Tempest-MORE")
fSim = clsIO.fMOR
sInp = clsIO.fInp.name
OutU = clsCMP.OutU
if OutU[:3] == "MET": sUni = "METRIC"
else: sUni = "FIELD "
#-- Write Header Information to Simulator File ----------------------
WO.outputHeader(fSim, sCom, clsIO)
WO.outputEOS(fSim, sCom, clsIO, clsEOS)
#-- Header ----------------------------------------------------------
# 123456789012345678901234567890123456789012345678901234567890
sHead = "--==========================================================\n"
fSim.write(sHead)
sLabl = "-- Tempest-MORE EOS Model generated by PVTfree Program\n"
fSim.write(sLabl)
sLabl = "-- From dataset " + sInp + "\n"
fSim.write(sLabl)
sLabl = "-- User specified " + sUni + " Units\n"
fSim.write(sLabl)
fSim.write(sHead)
fSim.write("\n")
#----------------------------------------------------------------------
# MORE-Specific Data
#----------------------------------------------------------------------
sLabl = "-- Component Names (CNAM) are specified in the INPU section\n"
fSim.write(sLabl)
fSim.write("\n")
sOut = "CNAM "
for iC in range(nCom):
sOut = sOut + clsEOS.gNM(iC) + " "
sOut = sOut + "WATR\n"
fSim.write(sOut)
fSim.write("\n")
#-- Composition -----------------------------------------------------
sOut = "-- Compositions\n"
fSim.write(sOut)
fSim.write("\n")
nSam = len(dicSAM)
for iSam in range(nSam):
clsSAM = dicSAM[iSam]
sNam = clsSAM.sNam
sCom = ""
sKey = "SCMP " + sNam + "\n"
for iC in range(nCom):
dVec[iC] = clsSAM.gZI(iC)
writeVectorD(fSim, sCom, sKey, 6, "{:10.7f}", dVec)
#-- Fluid Section Header --------------------------------------------
fSim.write(sHead)
sLabl = "FLUI EOS\n"
fSim.write(sLabl)
fSim.write(sHead)
fSim.write("\n")
sLabl = "-- Equation of State\n"
fSim.write(sLabl)
fSim.write("\n")
sEoS = clsEOS.EOS
sOut = "EQUA " + sEoS + "\n"
fSim.write(sOut)
fSim.write("\n")
#-- Reservoir Temperature -------------------------------------------
tRes = clsCMP.Tres
if OutU[:3] == "MET":
sUni = ": [degC]"
tRes = clsUNI.I2X(tRes, "degC")
else:
sUni = ": [degF]"
tRes = clsUNI.I2X(tRes, "degF")
sTr = "{:10.3f}\n".format(tRes)
sLabl = "-- Reservoir Temperature " + sUni + "\n"
fSim.write(sLabl)
fSim.write("\n")
sOut = "TEMP " + sTr
fSim.write(sOut)
fSim.write("\n")
#-- Main Properties Table -------------------------------------------
sLabl = "-- Main Fluid Properties\n"
fSim.write(sLabl)
fSim.write("\n")
sOut = "PROP CNam Mw Tc Pc AcF Zc SG Para\n"
fSim.write(sOut)
if OutU[:3] == "MET":
sOut = "-- Kelv bara\n"
else:
sOut = "-- degR psia\n"
fSim.write(sOut)
for iC in range(nCom):
sN = clsEOS.gNM(iC)
sNm = sN.ljust(8, ' ')
Mw = clsEOS.gPP("MW", iC)
sMw = "{:10.3f} ".format(Mw)
Tc = clsEOS.gPP("TC", iC)
Pc = clsEOS.gPP("PC", iC)
if OutU[:3] == "MET":
Tc = clsUNI.I2X(Tc, "kelv")
Pc = clsUNI.I2X(Pc, "bara")
sPc = "{:10.4f}".format(Pc)
else:
sPc = "{:10.3f} ".format(Pc)
sTc = "{:10.3f} ".format(Tc)
AF = clsEOS.gPP("AF", iC)
sAF = "{:10.5f} ".format(AF)
Zc = clsEOS.gPP("ZC", iC)
sZc = "{:10.5f} ".format(Zc)
SG = clsEOS.gPP("SG", iC)
sSG = "{:10.5f} ".format(SG)
PA = clsEOS.gPP("PA", iC)
sPA = "{:10.3f} ".format(PA)
sOut = " " + sNm + sMw + sTc + sPc + sAF + sZc + sSG + sPA + "\n"
fSim.write(sOut)
fSim.write("/\n")
fSim.write("\n")
#-- Omega-A & Omega-B Multiplers -----------------------------------
sCom = "-- Omega-A Multipliers " + "\n"
for iC in range(nCom):
dVec[iC] = clsEOS.gPP("MA", iC)
writeVectorD(fSim, sCom, "OMGA MULT\n", 6, "{:11.9f}", dVec)
sCom = "-- Omega-B Multipliers " + "\n"
for iC in range(nCom):
dVec[iC] = clsEOS.gPP("MB", iC)
writeVectorD(fSim, sCom, "OMGB MULT\n", 6, "{:11.9f}", dVec)
#-- Volume Shift Parameters -----------------------------------------
sCom = "-- Volume Shifts " + "\n"
for iC in range(nCom):
dVec[iC] = clsEOS.gPP("SS", iC)
writeVectorD(fSim, sCom, "VOLU\n", 6, "{:11.8f}", dVec)
#-- BIPs ------------------------------------------------------------
fSim.write("-- Binary Iteraction Parameters (Lower Triangle)\n")
fSim.write("\n")
fSim.write("INTE\n")
sCom = ""
for iC in range(1, nCom):
bVec = NP.zeros(iC)
for jC in range(iC):
bVec[jC] = clsEOS.gIJ(iC, jC)
writeVectorD(fSim, sCom, "ROW", 7, "{:9.6f}", bVec)
fSim.write("/\n")
fSim.write("\n")
#-- Brine Density at Standard (Stock Tank) Conditions ---------------
mFrc = clsCMP.bSalt #-- Mass Fraction of Salt in the Brine
dSTW, comW = CW.calcRoweChouDen(mFrc, UT.tStand, UT.pStand,
clsUNI) #-- Stock Tank Brine Density
clsCMP.setDenSTW(dSTW)
clsCMP.setDenSTO(-1.0) #-- In EoS Mode, E300 calculates STO Density
clsCMP.setDenSTG(-1.0) #-- Ditto
#== Brine Properties at Reference Pressure & Tres (for PVTW keyword) ==
if clsCMP.setBr:
CW.calcPVTW(clsCMP, clsUNI, clsIO)
#== Write DENSITY and PVTW keywords ===================================
WB.outputECLDensity(OutU, fSim, clsCMP, clsUNI)
WB.outputECLPVTW(OutU, fSim, clsCMP, clsUNI)
#== Close the file ====================================================
clsIO.qMOR = UT.closeFile(fSim)
#== No return value ===================================================
return
def writeE300(ZMFvD, clsEOS, dicSAM, clsCMP, clsIO, clsUNI):
#-- Open the E300 File, if not already open ------------------------
if not clsIO.q300:
path300 = clsIO.patR + ".e300"
f300 = open(path300, 'w')
clsIO.setQ300(True)
clsIO.setF300(f300)
else:
f300 = clsIO.f300
sCom = "--"
#== Headers ===========================================================
print("Writing Compositional Description for E300")
fSim = clsIO.f300
sInp = clsIO.fInp.name
OutU = clsCMP.OutU
if OutU[:3] == "MET": sUni = "METRIC"
else: sUni = "FIELD "
#-- Write Header Information to Simulator File ----------------------
WO.outputHeader(fSim, sCom, clsIO)
WO.outputEOS(fSim, sCom, clsIO, clsEOS)
#-- Header ----------------------------------------------------------
# 123456789012345678901234567890123456789012345678901234567890
sHead = "--==========================================================\n"
fSim.write(sHead)
sLabl = "-- E300 EOS Model generated by PVTfree Program\n"
fSim.write(sLabl)
sLabl = "-- From dataset " + sInp + "\n"
fSim.write(sLabl)
sLabl = "-- User specified " + sUni + " Units\n"
fSim.write(sLabl)
fSim.write(sHead)
fSim.write("\n")
#-- Number of Components --------------------------------------------
nCom = clsEOS.nComp
sLabl = "-- Number of Components\n"
fSim.write(sLabl)
fSim.write("\n")
sLabl = "NCOMPS\n"
fSim.write(sLabl)
sLabl = " {:2d} /\n".format(nCom)
fSim.write(sLabl)
fSim.write("\n")
#-- Equation of State -----------------------------------------------
EOS = clsEOS.EOS
if EOS == "SRK": sExt = "Soave-Redlich-Kwong (SRK)"
else: sExt = "Peng-Robinson (PR)"
sLabl = "-- Equation of State: " + sExt + "\n"
fSim.write(sLabl)
fSim.write("\n")
sLabl = "EOS\n"
fSim.write(sLabl)
sLabl = " " + str(EOS) + " /\n"
fSim.write(sLabl)
fSim.write("\n")
if EOS == "PR":
sLabl = "-- Modified Form of the Peng-Robinson EOS\n"
fSim.write(sLabl)
fSim.write("\n")
sLabl = "PRCORR\n"
fSim.write(sLabl)
fSim.write("\n")
#== Component Properties ==============================================
sVec = ["" for i in range(nCom)]
dVec = NP.zeros(nCom)
#-- Component Names -------------------------------------------------
sCom = "-- Component Names " + "\n"
for iC in range(nCom):
sVec[iC] = clsEOS.gNM(iC)
writeVectorS(fSim, sCom, "CNAMES\n", 7, 8, sVec)
#-- Mole Weights ----------------------------------------------------
if OutU[:3] == "MET": sUni = ": [kg/kgmol]"
else: sUni = ": [lb/lbmol]"
sCom = "-- Molecular Weights " + sUni + "\n"
for iC in range(nCom):
dVec[iC] = clsEOS.gPP("MW", iC)
writeVectorD(fSim, sCom, "MW\n", 7, "{:8.3f}", dVec)
#-- Critical Temperatures -------------------------------------------
if OutU[:3] == "MET":
sUni = ": [Kelvin]"
for iC in range(nCom):
dVec[iC] = clsUNI.I2X(clsEOS.gPP("TC", iC), "kelv")
else:
sUni = ": [degrees Rankine]"
for iC in range(nCom):
dVec[iC] = clsEOS.gPP("TC", iC)
sCom = "-- Critical Temperatures " + sUni + "\n"
writeVectorD(fSim, sCom, "TCRIT\n", 7, "{:8.3f}", dVec)
#-- Critical Pressures ----------------------------------------------
if OutU[:3] == "MET":
sUni = ": [barsa]"
sFor = "{:8.4f}"
for iC in range(nCom):
dVec[iC] = clsUNI.I2X(clsEOS.gPP("PC", iC), "bara")
else:
sUni = ": [psia]"
sFor = "{:8.3f}"
for iC in range(nCom):
dVec[iC] = clsEOS.gPP("PC", iC)
sCom = "-- Critical Pressures " + sUni + "\n"
writeVectorD(fSim, sCom, "PCRIT\n", 7, sFor, dVec)
#-- Critical Volumes ------------------------------------------------
if OutU[:3] == "MET":
sUni = ": [m3/kgmol]"
sFor = "{:8.3f}"
for iC in range(nCom):
dVec[iC] = clsUNI.I2X(clsEOS.gPP("VC", iC), "m3/kgmol")
else:
sUni = ": [ft3/lbmol]"
sFor = "{:8.4f}"
for iC in range(nCom):
dVec[iC] = clsEOS.gPP("VC", iC)
sCom = "-- Critical Volumes " + sUni + "\n"
writeVectorD(fSim, sCom, "VCRIT\n", 7, sFor, dVec)
#-- Critical Z-Factors ----------------------------------------------
sCom = "-- Critical Z-Factors " + "\n"
for iC in range(nCom):
dVec[iC] = clsEOS.gPP("ZC", iC)
writeVectorD(fSim, sCom, "ZCRIT\n", 7, "{:8.6f}", dVec)
#-- Acentric Factors ------------------------------------------------
sCom = "-- Acentric Factors " + "\n"
for iC in range(nCom):
dVec[iC] = clsEOS.gPP("AF", iC)
writeVectorD(fSim, sCom, "ACF\n", 7, "{:8.6f}", dVec)
#-- Omega-A's -------------------------------------------------------
sCom = "-- Omega-A Values " + "\n"
for iC in range(nCom):
dVec[iC] = clsEOS.gPP("MA", iC) * clsEOS.OA
writeVectorD(fSim, sCom, "OMEGAA\n", 6, "{:11.9f}", dVec)
#-- Omega-B's -------------------------------------------------------
sCom = "-- Omega-B Values " + "\n"
for iC in range(nCom):
dVec[iC] = clsEOS.gPP("MB", iC) * clsEOS.OB
writeVectorD(fSim, sCom, "OMEGAB\n", 6, "{:11.9f}", dVec)
#-- Parachors -------------------------------------------------------
sCom = "-- Parachors " + "\n"
for iC in range(nCom):
dVec[iC] = clsEOS.gPP("PA", iC)
writeVectorD(fSim, sCom, "PARACHOR\n", 7, "{:8.3f}", dVec)
#-- Volume Shifts ---------------------------------------------------
sCom = "-- Volume Shifts " + "\n"
for iC in range(nCom):
dVec[iC] = clsEOS.gPP("SS", iC)
writeVectorD(fSim, sCom, "SSHIFT\n", 7, "{:9.6f}", dVec)
#== Binary Interation Coefficients ====================================
fSim.write("-- Binary Iteraction Parameters\n")
fSim.write("\n")
fSim.write("BIC\n")
sCom = ""
for iC in range(1, nCom):
bVec = NP.zeros(iC)
for jC in range(iC):
bVec[jC] = clsEOS.gIJ(iC, jC)
writeVectorD(fSim, sCom, "", 7, "{:9.6f}", bVec)
fSim.write("/\n")
fSim.write("\n")
#-- Reservoir Temperature -------------------------------------------
tRes = clsCMP.Tres
if OutU[:3] == "MET":
sUni = ": [degC]"
tRes = clsUNI.I2X(tRes, "degC")
else:
sUni = ": [degF]"
tRes = clsUNI.I2X(tRes, "degF")
sLabl = "-- Reservoir Temperature " + sUni + "\n"
fSim.write(sLabl)
fSim.write("\n")
fSim.write("RTEMP\n")
sLabl = " {:7.3f}".format(tRes) + " /\n"
fSim.write(sLabl)
fSim.write("\n")
#== Composition (versus Depth? =========================================
if clsCMP.qDep:
dGOC = clsCMP.dGOC
if OutU[:3] == "MET":
dUni = "m"
zUni = "-- Depth/[m] Composition\n"
else:
dUni = "ft"
zUni = "-- Depth/[ft] Composition\n"
dGOC = clsUNI.I2X(dGOC, dUni)
sGOC = "{:10.3f} ".format(dGOC)
fSim.write("-- Composition versus Depth\n")
fSim.write("-- Note: d(GOC) = " + sGOC + dUni + "\n")
fSim.write("\n")
fSim.write("ZMFVD\n")
fSim.write(zUni)
writeZMFVD(ZMFvD, dUni, fSim, "ECL", nCom, clsUNI)
else:
sCom = "-- Composition\n"
for iC in range(nCom):
dVec[iC] = dicSAM[0].gZI(iC)
writeVectorD(fSim, sCom, "ZI\n", 6, "{:10.7f}", dVec)
#== Brine Density at Standard (Stock Tank) Conditions =================
mFrc = clsCMP.bSalt #-- Mass Fraction of Salt in the Brine
dSTW, comW = CW.calcRoweChouDen(mFrc, UT.tStand, UT.pStand,
clsUNI) #-- Stock Tank Brine Density
clsCMP.setDenSTW(dSTW)
clsCMP.setDenSTO(-1.0) #-- In EoS Mode, E300 calculates STO Density
clsCMP.setDenSTG(-1.0) #-- Ditto
WB.outputECLDensity(OutU, fSim, clsCMP, clsUNI)
#-- Brine Properties at Reference Pressure & Tres (for PVTW keyword)
if clsCMP.setBr:
CW.calcPVTW(clsCMP, clsUNI, clsIO)
#== Write DENSITY and PVTW keywords ===================================
WB.outputECLPVTW(OutU, fSim, clsCMP, clsUNI)
#== Close the file ====================================================
clsIO.q300 = UT.closeFile(fSim)
#== No return value ===================================================
return
def writeVIP(ZMFvD, clsEOS, dicSAM, clsCMP, clsIO, clsUNI):
#-- Initialisation --------------------------------------------------
sCom = "C "
nCom = clsEOS.nComp
dVec = NP.zeros(nCom)
#-- Open the VIP File, if not already open -------------------------
if not clsIO.qVIP:
pathVIP = clsIO.patR + ".vip"
fVIP = open(pathVIP, 'w')
clsIO.setQVIP(True)
clsIO.setFVIP(fVIP)
else:
fVIP = clsIO.fVIP
#== Headers ===========================================================
print("Writing Compositional Description for VIP/Nexus")
fSim = clsIO.fVIP
sInp = clsIO.fInp.name
OutU = clsCMP.OutU
if OutU[:3] == "MET": sUni = "METRIC"
else: sUni = "FIELD "
#-- Write Header Information to Simulator File ----------------------
WO.outputHeader(fSim, sCom, clsIO)
WO.outputEOS(fSim, sCom, clsIO, clsEOS)
#-- Header ----------------------------------------------------------
# 123456789012345678901234567890123456789012345678901234567890
sHead = "C ==========================================================\n"
fSim.write(sHead)
sLabl = "C VIP/Nexus EOS Model generated by PVTfree Program\n"
fSim.write(sLabl)
sLabl = "C From dataset " + sInp + "\n"
fSim.write(sLabl)
sLabl = "C User specified " + sUni + " Units\n"
fSim.write(sLabl)
fSim.write(sHead)
fSim.write("\n")
#-- Equation of State -----------------------------------------------
sLabl = "C Equation of State: Peng-Robinson (PR) or Soave-Redlich-Kwong (SRK)\n"
fSim.write(sLabl)
fSim.write("\n")
sEoS = clsEOS.EOS
sOut = "EOS " + sEoS + " 1 \n"
fSim.write(sOut)
fSim.write("\n")
#-- Components ------------------------------------------------------
sLabl = "C Component Names\n"
fSim.write(sLabl)
fSim.write("\n")
fSim.write("COMPONENTS\n")
sOut = " "
for iC in range(nCom):
sNam = clsEOS.gNM(iC)
sOut = sOut + sNam + " "
sOut = sOut + "\n"
fSim.write(sOut)
fSim.write("\n")
#-- Main Properties Table -------------------------------------------
sLabl = "C Main Fluid Properties\n"
fSim.write(sLabl)
fSim.write("\n")
if OutU[:3] == "MET":
sOut = "PROPERTIES C KPA\n"
else:
sOut = "PROPERTIES F PSIA\n"
fSim.write(sOut)
# 12345678901
sOut = "COMP MW TC PC ZC ACENTRIC OMEGAA OMEGAB VSHIFT PCHOR\n"
fSim.write(sOut)
for iC in range(nCom):
sN = clsEOS.gNM(iC)
sNm = sN.ljust(9, ' ')
Mw = clsEOS.gPP("MW", iC)
sMw = "{:10.3f} ".format(Mw)
Tc = clsEOS.gPP("TC", iC)
Pc = clsEOS.gPP("PC", iC)
if OutU[:3] == "MET":
Tc = clsUNI.I2X(Tc, "degc")
Pc = clsUNI.I2X(Pc, "kpa")
else:
Tc = clsUNI.I2X(Tc, "degf")
sTc = "{:10.3f} ".format(Tc)
sPc = "{:10.3f} ".format(Pc)
Zc = clsEOS.gPP("ZC", iC)
sZc = "{:10.5f} ".format(Zc)
AF = clsEOS.gPP("AF", iC)
sAF = "{:10.5f} ".format(AF)
MA = clsEOS.gPP("MA", iC)
sOA = "{:10.7f} ".format(MA * clsEOS.OA)
MB = clsEOS.gPP("MB", iC)
sOB = "{:10.7f} ".format(MB * clsEOS.OB)
SS = clsEOS.gPP("SS", iC)
sSS = "{:10.7f} ".format(SS)
PA = clsEOS.gPP("PA", iC)
sPA = "{:10.3f} ".format(PA)
sOut = sNm + sMw + sTc + sPc + sZc + sAF + sOA + sOB + sSS + sPA + "\n"
fSim.write(sOut)
fSim.write("\n")
#-- BInary Interaction Parameters -----------------------------------
sLabl = "C Binary Interaction Parameters\n"
fSim.write(sLabl)
fSim.write("\n")
for iC in range(1, nCom):
sCom = clsEOS.gNM(iC)
sOut = "DJK " + sCom + "\n"
fSim.write(sOut)
for jC in range(iC):
sCom = clsEOS.gNM(jC)
sNam = sCom.ljust(8, ' ')
dVal = clsEOS.gIJ(iC, jC)
sVal = " {:10.5f}\n".format(dVal)
sOut = sNam + sVal
fSim.write(sOut)
fSim.write("\n")
#-- End of EOS Section ----------------------------------------------
sOut = "C End of EOS Section\n"
fSim.write(sOut)
fSim.write("\n")
fSim.write(sHead)
fSim.write("ENDEOS\n")
fSim.write(sHead)
fSim.write("\n")
#== Water Properties ==================================================
if clsCMP.setBr:
fSim.write("C\n")
fSim.write("C Water Properties\n")
fSim.write("C\n")
fSim.write("\n")
CW.calcPVTW(clsCMP, clsUNI, clsIO) #-- Brine Properties
pRefW = clsCMP.pRefW #-- Ref Pres
dSTW = clsCMP.dSTW #-- Stock Tank Density
bRefW = clsCMP.bRefW #-- Ref Bw
cRefW = clsCMP.cRefW #-- Ref Comp
uRefW = clsCMP.uRefW #-- Ref Visc
vRefW = clsCMP.vRefW #-- Viscosibility
if OutU[:3] == "MET":
pRefW = clsUNI.I2X(pRefW, "kpa")
dSTW = clsUNI.I2X(dSTW, "kg/m3")
cRefW = clsUNI.I2X(cRefW, "1/kpa")
vRefW = clsUNI.I2X(vRefW, "1/kpa")
vRefW = uRefW * vRefW #-- d[Visc]/dp = Visc*Viscosibility
sPref = "{:10.3f} ".format(pRefW)
sDsur = "{:10.3f} ".format(dSTW)
sBref = "{:10.5f} ".format(bRefW)
sCref = "{:10.3e} ".format(cRefW)
sUref = "{:10.5f} ".format(uRefW)
sVref = "{:10.3e} ".format(vRefW)
#-- Write Water Properties ------------------------------------------
fSim.write(
"PVTW IPVTW PBASEW DWB BWI CW VW VWP\n"
)
sOut = " 1 " + sPref + sDsur + sBref + sCref + sUref + sVref + "\n"
fSim.write(sOut)
fSim.write("\n")
#== Close the file ====================================================
clsIO.qVIP = UT.closeFile(fSim)
#== No return values ==================================================
return
def writeGEM(ZMFvD, clsEOS, dicSAM, clsCMP, clsIO, clsUNI):
#-- Initialisation --------------------------------------------------
sCom = "**"
nCom = clsEOS.nComp
dVec = NP.zeros(nCom)
#-- Open the GEM File, if not already open -------------------------
if not clsIO.qGEM:
pathGEM = clsIO.patR + ".gem"
fGEM = open(pathGEM, 'w')
clsIO.setQGEM(True)
clsIO.setFGEM(fGEM)
else:
fGEM = clsIO.fGEM
#== Headers ===========================================================
print("Writing Compositional Description for GEM")
fSim = clsIO.fGEM
sInp = clsIO.fInp.name
OutU = clsCMP.OutU
if OutU[:3] == "MET": sUni = "METRIC"
else: sUni = "FIELD "
#-- Write Header Information to Simulator File ----------------------
WO.outputHeader(fSim, sCom, clsIO)
WO.outputEOS(fSim, sCom, clsIO, clsEOS)
#-- Header ----------------------------------------------------------
# 123456789012345678901234567890123456789012345678901234567890
sHead = "**==========================================================\n"
fSim.write(sHead)
sLabl = "** CMG-GEM EOS Model generated by PVTfree Program\n"
fSim.write(sLabl)
sLabl = "** From dataset " + sInp + "\n"
fSim.write(sLabl)
sLabl = "** User specified " + sUni + " Units\n"
fSim.write(sLabl)
fSim.write(sHead)
fSim.write("\n")
#-- Equation of State -----------------------------------------------
sLabl = "** Equation of State: Peng-Robinson (PR) or Soave-Redlich-Kwong (SRK)\n"
fSim.write(sLabl)
fSim.write("\n")
sEoS = clsEOS.EOS
sOut = "*MODEL *" + sEoS + "\n"
fSim.write(sOut)
fSim.write("\n")
#-- Number of Components --------------------------------------------
sLabl = "** Number of Components; All assumed to be USER components\n"
fSim.write(sLabl)
fSim.write("\n")
sOut = "*NC " + str(nCom) + " " + str(nCom) + "\n"
fSim.write(sOut)
fSim.write("\n")
#-- Component Names -------------------------------------------------
sLabl = "** Component Names\n"
fSim.write(sLabl)
fSim.write("\n")
sOut = "*COMPNAME "
for iC in range(nCom):
sNam = clsEOS.gNM(iC)
sOut = sOut + "'" + sNam + "' "
sOut = sOut + "\n"
fSim.write(sOut)
fSim.write("\n")
fSim.write("*EOSSET 1\n")
fSim.write("\n")
#-- Mole Weights ----------------------------------------------------
sCom = "** Molecular Weights : [gm/gmol]\n"
for iC in range(nCom):
dVec[iC] = clsEOS.gPP("MW", iC)
writeVectorD(fSim, sCom, "*MW", 7, "{:8.3f}", dVec)
#-- Specific Gravity ------------------------------------------------
sCom = "** Specific Gravity\n"
for iC in range(nCom):
dVec[iC] = clsEOS.gPP("SG", iC)
writeVectorD(fSim, sCom, "*SG", 7, "{:8.6f}", dVec)
#-- Boiling Point Temperature ---------------------------------------
for iC in range(nCom):
dVec[iC] = clsEOS.gPP("TB", iC)
if OutU[:3] == "MET":
sUni = ": [degC]"
for iC in range(nCom):
dVec[iC] = clsUNI.I2X(dVec[iC], "degc")
else:
sUni = ": [degF]"
for iC in range(nCom):
dVec[iC] = clsUNI.I2X(dVec[iC], "degf")
sCom = "** Boiling Point Temperature " + sUni + "\n"
writeVectorD(fSim, sCom, "*TB", 7, "{:8.3f}", dVec)
#-- Critical Temperatures -------------------------------------------
for iC in range(nCom):
dVec[iC] = clsUNI.I2X(clsEOS.gPP("TC", iC), "kelv")
sCom = "** Critical Temperatures : [Kelvin]" + "\n"
writeVectorD(fSim, sCom, "*TCRIT", 7, "{:8.3f}", dVec)
#-- Critical Pressures ----------------------------------------------
for iC in range(nCom):
dVec[iC] = clsUNI.I2X(clsEOS.gPP("PC", iC), "atm")
sCom = "** Critical Pressures : [atm]\n"
writeVectorD(fSim, sCom, "*PCRIT", 7, "{:8.4f}", dVec)
#-- Critical Volumes ------------------------------------------------
for iC in range(nCom):
dVec[iC] = clsUNI.I2X(clsEOS.gPP("VC", iC), "m3/kgmol")
sCom = "** Critical Volumes : [m3/kgmol]\n"
writeVectorD(fSim, sCom, "*VCRIT", 7, "{:8.3f}", dVec)
#-- Critical Z-Factors ----------------------------------------------
sCom = "** Critical Z-Factors " + "\n"
for iC in range(nCom):
dVec[iC] = clsEOS.gPP("ZC", iC)
writeVectorD(fSim, sCom, "*ZCRIT", 7, "{:8.6f}", dVec)
#-- Acentric Factors ------------------------------------------------
sCom = "** Acentric Factors " + "\n"
for iC in range(nCom):
dVec[iC] = clsEOS.gPP("AF", iC)
writeVectorD(fSim, sCom, "*AC", 7, "{:8.6f}", dVec)
#-- Parachors -------------------------------------------------------
sCom = "** Parachors " + "\n"
for iC in range(nCom):
dVec[iC] = clsEOS.gPP("PA", iC)
writeVectorD(fSim, sCom, "*PCHOR", 7, "{:8.3f}", dVec)
#-- Omega-A's -------------------------------------------------------
sCom = "** Omega-A Values " + "\n"
for iC in range(nCom):
dVec[iC] = clsEOS.gPP("MA", iC) * clsEOS.OA
writeVectorD(fSim, sCom, "*OMEGA", 6, "{:11.9f}", dVec)
#-- Omega-B's -------------------------------------------------------
sCom = "** Omega-B Values " + "\n"
for iC in range(nCom):
dVec[iC] = clsEOS.gPP("MB", iC) * clsEOS.OB
writeVectorD(fSim, sCom, "*OMEGB", 6, "{:11.9f}", dVec)
#-- Volume Shifts ---------------------------------------------------
sCom = "** Volume Shifts " + "\n"
for iC in range(nCom):
dVec[iC] = clsEOS.gPP("SS", iC)
writeVectorD(fSim, sCom, "*VSHIFT", 7, "{:9.6f}", dVec)
#-- Binary Interaction Parameters -----------------------------------
sCom = "** Binary Interaction Parameters\n"
fSim.write(sCom)
fSim.write("\n")
sOut = "*BIN "
for iC in range(1, nCom):
for jC in range(iC):
dVal = clsEOS.gIJ(iC, jC)
sVal = "{:9.6f} ".format(dVal)
sOut = sOut + sVal
sOut = sOut + "\n"
fSim.write(sOut)
sOut = " "
fSim.write("\n")
#-- Reservoir Temperature -------------------------------------------
tRes = clsCMP.Tres
if OutU[:3] == "MET":
sUni = ": [degC]"
tRes = clsUNI.I2X(tRes, "degC")
else:
sUni = ": [degF]"
tRes = clsUNI.I2X(tRes, "degF")
sTr = "{:10.3f}\n".format(tRes)
sLabl = "** Reservoir Temperature " + sUni + "\n"
fSim.write(sLabl)
fSim.write("\n")
sOut = "*TRES " + sTr
fSim.write(sOut)
fSim.write("\n")
#== Brine Density at Standard (Stock Tank) Conditions =================
if clsCMP.setBr:
CW.calcPVTW(clsCMP, clsUNI, clsIO) #-- Brine Properties
dSTW = clsCMP.dSTW
#-- Aqueous Phase Properties ----------------------------------------
sLabl = "** Aqueous Phase Properties\n"
fSim.write(sLabl)
fSim.write("\n")
pRefW = clsCMP.pRefW #-- Ref Pres
bRefW = clsCMP.bRefW #-- Bw = Vres/Vsur = RhoSur/RhoRes
cRefW = clsCMP.cRefW #-- Compressibility
bSalt = clsCMP.bSalt
dRes = dSTW / bRefW #-- Reservoir Density
if OutU[:3] == "MET":
dSTW = clsUNI.I2X(dSTW, "kg/m3")
dRes = clsUNI.I2X(dRes, "kg/m3")
pRefW = clsUNI.I2X(pRefW, "kpa")
cRefW = clsUNI.I2X(cRefW, "1/kpa")
sDsur = "{:10.3f}\n".format(dSTW)
sDres = "{:10.3f}\n".format(dRes)
sPref = "{:10.3f}\n".format(pRefW)
sCref = "{:10.3e}\n".format(cRefW)
sSalt = "{:10.5f}\n".format(bSalt)
fSim.write("*DENW " + sDsur)
fSim.write("*DENWS " + sDres)
fSim.write("*CW " + sCref)
fSim.write("*REFPW " + sPref)
fSim.write("\n")
fSim.write("*AQUEOUS-VISCOSITY *KESTIN\n")
fSim.write("*SALINITY *WTFRAC " + sSalt)
fSim.write("\n")
#== Close the file ====================================================
clsIO.qGEM = UT.closeFile(fSim)
#== No return value ===================================================
return
def readDef(clsIO, dicSAM, clsUNI):
iERR = 0
iCnt = 0
fInP = clsIO.fInP
fOut = clsIO.fOut
macEPS = calcMacEPS() #-- Compute Machine Epsilon
#---------------------------------------------------------------------
# Parse Input File Line by Line
#---------------------------------------------------------------------
for curL in fInP:
iCnt += 1
#-- Current Line in curL; split into List tokS
tokS = curL.split()
nTok = len(tokS)
#-- Blank or Comment? -----------------------------------------------
if nTok == 0: #-- Blank line
pass
else:
if tokS[0][:2] == "--": pass
elif tokS[0][:4].upper() == "ENDD": break
elif tokS[0][:3].upper() == "DEB":
iERR = RE.readDebug(clsIO)
elif tokS[0].upper() == "EOS":
#-- Equation of State -----------------------------------------------
EOS = tokS[1].upper()
clsEOS = classEoS(EOS)
print("Equation of State Specified as ", EOS)
sCom = "--"
WO.outputHeader(fOut, sCom, clsIO)
WO.outputEOS(fOut, sCom, clsIO, clsEOS)
elif tokS[0].upper() == "NCOMP":
nComp = int(tokS[1])
clsEOS.NC = nComp
clsEOS.setNComp(nComp) #-- Dimension the Arrays
elif tokS[0].upper() == "NSAMP":
nSamp = int(tokS[1])
clsEOS.NS = nSamp
elif tokS[0].upper() == "PROPS":
curL = next(fInP) #-- Property Names
curL = next(fInP) #-- Property Units
for iC in range(nComp):
curL = next(fInP)
tokS = curL.split()
nTok = len(tokS)
if nTok != 17:
print("DEFINE PROPS: Expecting 17 Columns, Only ",
nTok, " Read")
iERR = -1
break
sN = tokS[0]
Mw = float(tokS[1])
Tc = float(tokS[2])
Pc = float(tokS[3])
Vc = float(tokS[4])
Zc = float(tokS[5])
AF = float(tokS[6])
Tb = float(tokS[7])
SG = float(tokS[8])
PA = float(tokS[9])
SS = float(tokS[10])
MA = float(tokS[11])
MB = float(tokS[12])
CA = float(tokS[13])
CB = float(tokS[14])
CC = float(tokS[15])
CD = float(tokS[16])
clsEOS.sPP("CN", iC, sN)
clsEOS.sPP("MW", iC, Mw)
clsEOS.sPP("TC", iC, Tc)
clsEOS.sPP("PC", iC, Pc)
clsEOS.sPP("VC", iC, Vc)
clsEOS.sPP("ZC", iC, Zc)
clsEOS.sPP("AF", iC, AF)
clsEOS.sPP("TB", iC, Tb)
clsEOS.sPP("SG", iC, SG)
clsEOS.sPP("PA", iC, PA)
clsEOS.sPP("SS", iC, SS)
clsEOS.sPP("MA", iC, MA)
clsEOS.sPP("MB", iC, MB)
clsEOS.sPP("CA", iC, CA)
clsEOS.sPP("CB", iC, CB)
clsEOS.sPP("CC", iC, CC)
clsEOS.sPP("CD", iC, CD)
elif tokS[0].upper() == "BIP":
curL = next(fInP) #-- Component Names
for iC in range(nComp):
curL = next(fInP)
tokS = curL.split()
nTok = len(tokS)
if nTok != nComp + 1:
print("DEFINE BIP: Expecting ", nComp + 1,
" Columns, Only ", nTok, " Read")
iERR = -1
break
iTok = 1
while iTok < nTok:
KIJ = float(tokS[iTok])
clsEOS.sIJ(iC, iTok - 1, KIJ)
iTok += 1
elif tokS[0].upper() == "SAMPLES":
curL = next(fInP) #-- Sample Names
tokS = curL.split()
nTok = len(tokS)
for iSamp in range(nSamp):
sName = tokS[iSamp + 1]
csSAM = RS.classSample(sName)
dicSAM[iSamp] = csSAM
dicSAM[iSamp].setNComp(nComp)
for iC in range(nComp):
curL = next(fInP)
tokS = curL.split()
if nTok != nSamp + 1:
print("DEFINE SAMPLES: Expecting ", nSamp + 1,
" Columns, Only ", nTok, " Read")
iERR = -1
break
for iSamp in range(nSamp):
ZI = float(tokS[iSamp + 1])
if ZI < macEPS: ZI = 1.0E-20 #-- Protect against Z = 0
dicSAM[iSamp].sZI(iC, ZI)
else:
pass
#========================================================================
# Has any slop crept into the sample definitions?
#========================================================================
for iSamp in range(nSamp):
sumT = 0.0
for iC in range(nComp):
sumT = sumT + dicSAM[iSamp].gZI(iC)
sumT = 1.0 / sumT
for iC in range(nComp):
zI = sumT * dicSAM[iSamp].gZI(iC)
dicSAM[iSamp].sZI(iC, zI)
#== Back-calculate the C7+ Properties =================================
backCalcPlusFracProps(clsEOS, dicSAM)
#========================================================================
# Do we need to sort the components? Most to Least Volatility
#========================================================================
clsEOS, dicSAM = CR.sortComponents(clsEOS, dicSAM)
#========================================================================
# Output the data
#========================================================================
sTit = "Initialisation from a saved DEFINE"
WO.outputProps(clsIO, clsEOS, dicSAM, sTit)
#========================================================================
# Write Fluid Description to the SAV file
#========================================================================
WO.outputSave(sTit, clsEOS, dicSAM, clsIO)
#======================================================================
# Generate (Approximate) Phase Plots
#======================================================================
CP.allSamplesPhasePlot(clsEOS, dicSAM, clsIO)
#== Return values =====================================================
return iERR, clsEOS, dicSAM
def readInit(clsIO, dicSAM, clsUNI):
iERR = 0
iCnt = 0
nSplt = 0
fInP = clsIO.fInP
fOut = clsIO.fOut
#----------------------------------------------------------------------
# Parse Input File Line by Line
#----------------------------------------------------------------------
for curL in fInP:
iCnt += 1
#-- Current Line in curL; split into List tokS ----------------------
tokS = curL.split()
nTok = len(tokS)
#== Process Options ===================================================
if nTok == 0: pass #-- Blank Line
elif tokS[0][:2] == "-- ": pass #-- Comment
elif tokS[0][:4].upper() == "ENDI":
break #-- ENDINIT k/w => Exit
#-- EOS K/W Read => Create the clsEOS to hold data ------------------
elif tokS[0].upper() == "EOS":
EOS = tokS[1].upper()
clsEOS = classEoS(EOS)
print("Equation of State Specified as ", EOS)
sCom = "--"
WO.outputHeader(fOut, sCom, clsIO)
WO.outputEOS(fOut, sCom, clsIO, clsEOS)
#-- SPLIT k/w -------------------------------------------------------
elif tokS[0][:3].upper() == "SPL":
nSplt = int(tokS[1])
#print("SPLIT: nSplt ",nSplt)
if nSplt < 2 or nSplt > 5:
print("SPLIT: nSplt ", nSplt,
" Out of Range, 2 =< Nsplt =< 5 - Error")
iERR = -1
break
else:
clsEOS.setNPseu(nSplt)
print("Plus Fraction will be split into ", nSplt,
" Pseudo-Components")
#-- SAMPLES k/w -----------------------------------------------------
elif tokS[0][:4].upper() == "SAMP":
if nSplt == 0:
nSplt = 1
clsEOS.setNPseu(nSplt)
iERR, dicSAM = RS.readSamp(clsIO, tokS, clsEOS, dicSAM, clsUNI)
if iERR < 0: break
#-- DEBUG k/w -------------------------------------------------------
elif tokS[0][:3].upper() == "DEB":
iERR = RE.readDebug(clsIO)
if iERR < 0: break
#== Return values =====================================================
return iERR, clsEOS, dicSAM
def runRegression(mIter, clsIO, clsEOS0, dicSAM0, dicEXP0, dicREG, qExp,
clsUNI):
#== Set Output File Name [rootName.reg] ===============================
if not clsIO.qReg:
pathReg = clsIO.patR + ".reg"
fReg = open(pathReg, 'w')
clsIO.setQREG(True)
clsIO.setFREG(fReg)
else:
fReg = clsIO.fReg
sCom = "--"
WO.outputHeader(fReg, sCom, clsIO)
WO.outputEOS(fReg, sCom, clsIO, clsEOS0)
#== Number of Variables ===============================================
nVar = len(dicREG)
#-- Initial (normalised) variables ----------------------------------
xVec = NP.ones(nVar)
#--------------------------------------------------------------------
# Run the experiments with the initial EoS and set of sample info
#--------------------------------------------------------------------
runRegExps(clsIO, clsEOS0, dicSAM0, dicEXP0, qExp)
#== Initial residuals vector ==========================================
qWrt = True
fReg.write("\n")
fReg.write(
"============================================================\n")
fReg.write(" Regression Output: Initial Residuals\n")
fReg.write(
"============================================================\n")
fReg.write("\n")
ssq0, regI = calcResSSQ(qWrt, dicEXP0, qExp, clsIO)
nReg = len(regI) #-- Number of items in Residual Vector
iTer = 0
#print("iVar,ssqI {:2d}{:10.5f}".format(iTer,ssq0))
#== Take a (deep) copy of the EoS class and Samples dictionary ========
clsEOS1 = deepcopy(clsEOS0)
dicSAM1 = deepcopy(dicSAM0)
dicEXP1 = deepcopy(dicEXP0)
#========================================================================
# Main Loop
#========================================================================
qConv = False
nIter = 1
while not qConv:
#======================================================================
# Build Jacobian by perturbing each variable in turn
#======================================================================
jacO = calcJaco(clsIO, dicREG, clsEOS0, clsEOS1, dicSAM0, dicSAM1,
dicEXP1, qExp, xVec, regI)
#======================================================================
# Calculate the Gradient and Hessian
#======================================================================
Grad = NP.dot(jacO, regI)
Hess = NP.dot(jacO, jacO.T) #-- Note Transpose!
#======================================================================
# Calculate the update vector delX
#======================================================================
delX = rotDisc(nIter, Grad, Hess, dicREG, dicSAM1, clsEOS1, clsIO)
#writeVector("Grad ",Grad)
#writeVector("xVec[B]",xVec)
#writeVector("delX ",delX)
#======================================================================
# Check if Variables Bounded?
#======================================================================
delX, Grad = checkBounds(nIter, clsEOS0, dicREG, dicSAM0, xVec, delX,
Grad, Hess, clsIO)
#======================================================================
# Line Search
#======================================================================
ssq1, xVec, regI = lineSearch(clsIO, dicREG, dicSAM0, dicSAM1, clsEOS0,
clsEOS1, dicEXP1, qExp, ssq0, xVec, delX,
Grad)
#writeVector("xVec[A]",xVec)
#======================================================================
# Progress in SSQ?
#======================================================================
if abs((ssq1 - ssq0) / ssq1) < 1.0E-04:
print("Regression converged!")
qConv = True
else:
ssq0 = ssq1
nIter += 1
if nIter > mIter:
print("Regression - Reached Max-Iterations = ", mIter)
break
#== Plot Before/After Results =========================================
qReg = True
GP.regPlots(clsIO, dicEXP0, dicEXP1, dicSAM1, qReg, clsUNI)
#======================================================================
# (Deep) copy the working EoS/Samples back to the main EoS/Samples
#======================================================================
clsEOS0 = deepcopy(clsEOS1)
dicSAM0 = deepcopy(dicSAM1)
dicEXP0 = deepcopy(dicEXP1)
#======================================================================
# Write Final Set of Residuals
#======================================================================
fReg.write("\n")
fReg.write(
"============================================================\n")
fReg.write(" Regression Output: Final Residuals\n")
fReg.write(
"============================================================\n")
fReg.write("\n")
ssq0, regI = calcResSSQ(qWrt, dicEXP0, qExp, clsIO)
#======================================================================
# Write New EoS & Experiments to Print File
#======================================================================
iERR, sTyp = regVarType(dicREG)
if sTyp == "REG": sExt = "Regular EOS Variables"
elif sTyp == "PLS": sExt = "Plus Fraction Variables"
elif sTyp == "LBC": sExt = "LBC Viscosity Variables"
sTit = "Regression Using " + sExt
WO.outputProps(clsIO, clsEOS0, dicSAM0, sTit)
#-- Only Print the Regession "Active" Experiments [qExp] ------------
nExp = len(dicEXP0)
qSav = [True for i in range(nExp)]
for iExp in range(nExp):
qSav[iExp] = qExp[iExp]
clsEXP0 = dicEXP0[iExp]
clsEXP0.IsAct = qExp[iExp]
#-- Print the Experiments -------------------------------------------
WO.outputExps(clsIO, dicEXP0, dicSAM0, clsUNI)
#-- Restore the IsAct Flag ------------------------------------------
for iExp in range(nExp):
clsEXP0 = dicEXP0[iExp]
clsEXP0.IsAct = qSav[iExp]
sTit = "Regression Using " + sTyp + " Variable Types"
WO.outputSave(sTit, clsEOS0, dicSAM0, clsIO)
return clsEOS0, dicSAM0, dicEXP0