def oneSidedStabCheck(iPhs, pRes, tRes, Z, fugZ, logK, clsEOS, clsIO):
mSTB = 101
nCom = clsEOS.nComp
qP = False #-- No Pres, Temp or Comp Derivatives Needed
qT = False
qX = False
res0 = NP.zeros(nCom)
iSTB = 0
if clsIO.Deb["STAB1"] > 0:
qDeb = True
fDeb = clsIO.fDeb
else:
qDeb = False
if qDeb > 0:
sOut = "1-Sided SC at pRes,tRes {:10.3f} {:8.3f}\n".format(pRes, tRes)
K = NP.exp(logK)
WO.writeArrayDebug(fDeb, K, "1SidedStab: K")
WO.writeArrayDebug(fDeb, Z, "1SidedStab: Z")
fDeb.write(sOut)
#== Successive Substitution/GDEM Loop =================================
while iSTB < mSTB:
iSTB += 1
#-- Mole Numbers ----------------------------------------------------
K = NP.exp(logK)
yMol = Z * K
#-- Mole composition (normalised) -----------------------------------
yNor, sumY = UT.NormSum(yMol)
fugY,dumV,dumV,dumM = \
CE.calcPhaseFugPTX(iPhs,qP,qT,qX,pRes,tRes,yNor,clsEOS)
gStr = 1.0 - sumY
#-- Residuals -------------------------------------------------------
res1 = res0
res0 = fugZ - fugY - logK
tolR = NP.dot(res0, res0)
gStr = gStr - NP.dot(yMol, res0)
#-- GDEM Step? ------------------------------------------------------
if iSTB % UT.mGDEM1 > 0: eigV = 1.0
else: eigV = UT.GDEM1(res0, res1, clsIO)
if eigV < 1.0: eigV = 1.0
#-- Update logK with/without GDEM Acceleration ----------------------
eVr0 = eigV * res0
logK = logK + eVr0
triV = NP.dot(logK, logK)
if qDeb:
sOut = "Stab1S: iSTB,sumY,gStr,tolR,triV,eigV {:3d} {:10.3e} {:10.3e} {:10.3e} {:10.3e} {:8.4f}\n" \
.format(iSTB,sumY,gStr,tolR,triV,eigV)
fDeb.write(sOut)
#K = NP.exp(logK)
#WO.writeArrayDebug(fDeb,K,"1SidedStab: K")
#-- Trivial or Converged? -------------------------------------------
if triV < 1.0E-04:
break
elif tolR < 1.0E-12:
break
#== Return the Gstar ==================================================
if qDeb > 0:
WO.writeArrayDebug(fDeb, K, "End 1S-SC: K")
return iSTB, sumY, gStr, tolR, triV, logK
def calcStepGRD(dDep, pDep, tRes, zRef, fRef, clsEOS, clsIO):
mxSS = 50
nCom = clsEOS.nComp
iLiq = 0
zDep = NP.zeros(nCom) #-- Composition at this Depth
yMol = NP.zeros(nCom)
res0 = NP.zeros(nCom)
res1 = NP.zeros(nCom)
fBar = NP.zeros(nCom)
#-- Gravity Correction: Whitson Eqn.(4.96) --------------------------
grvC = dDep / (144.0 * UT.gasCon * tRes)
#print("dDep,grvC {:10.3f} {:10.3e}".format(dDep,grvC))
zDep = zRef #-- Vec: initial z
fBar = NP.multiply(fRef, NP.exp(grvC * clsEOS.Mw)) #-- Vec: W&B Eqn.(4.96)
#======================================================================
# Main Iterative Loop
#======================================================================
iSS = 0 #-- Successive-Substitution Counter
qConv = False
while not qConv:
iSS += 1
if iSS > mxSS: break #-- Not converged!
#-- Fugacity Coefs and their P-Derivatives of New Fluid -------------
fDep, dFdP = setupCalcGRDCoefsP(iLiq, pDep, tRes, zDep, clsEOS)
#-- Mole Numbers: Whitson Eqn.(4.95) --------------------------------
res1 = res0 #-- Vec: Might be used in GDEM
res0 = fBar / fDep #-- Vec
yMol = zDep * res0 #-- Vec: W&B Eqn.(4.95)
sumY = NP.sum(yMol) #-- Scalar
res0 = res0 / sumY #-- Vec: W&B Eqn.(4.97)
wrkQ = yMol * res0 * dFdP / fDep
dQdP = NP.sum(wrkQ) #-- Scalar: W&B Eqn.(4.100)
qFun = 1.0 - sumY #-- W&B Eqn.(4.94)
dPrs = -qFun / dQdP #-- W&B Eqn.(4.99a)
pDep = pDep + dPrs #-- W&B Eqn.(4.99b)
#== Converged? ========================================================
cWrk = res0 * zDep / yMol #-- Vec
cWrk = NP.log(cWrk)
cTst = NP.sum(cWrk)
cTst = cTst * cTst
if cTst < 1.0E-12: break
#== SS or GDEM Update? W&B Eqn.(4.83) =================================
if iSS % UT.mGDEM1 > 0: eigV = 1.0
else:
res0 = NP.log(res0) #-- Take logs of Residuals
res1 = NP.log(res1)
eigV = UT.GDEM1(res0, res1, clsIO) #-- GDEM works on log-Residuals
res0 = NP.exp(res0) #-- Restore Residuals
res1 = NP.exp(res1)
#print("calcStepGRD: iSS,qFun,dQdP,eigV,dPrs,cTst {:2d} {:10.3e} {:10.3e} {:8.3f} {:10.3e} {:10.3e}".format(iSS,qFun,dQdP,eigV,dPrs,cTst))
yMol = yMol * NP.power(res0, eigV)
#-- Mole Numbers to Composition -------------------------------------
zDep = UT.Norm(yMol)
#== Return the updated pressure and composition =======================
#print("calcStepGRD: iSS,pDep {:2d} {:10.3f}".format(iSS,pDep))
return pDep, zDep
def calcPsat(pObs,tRes,clsEOS,clsSAM,clsIO) :
nCom = clsEOS.NC
mPSA = 101
if clsIO.Deb["PSAT"] > 0 :
qDeb = True
fDeb = clsIO.fDeb
else :
qDeb = False
#== Pre-Sweep; do we have approx phase env and/or observed Psat? ======
qBub,p2PH,p1PH,logK = sweepPsat(pObs,tRes,clsEOS,clsSAM,clsIO)
pSat = p2PH
p2OK = p2PH
#========================================================================
# Do we have a valid Pressure Interval to search?
#========================================================================
if qDeb :
sOut = "calcPsat: tRes,p2PH,p1PH {:8.3f} {:10.3f} {:10.3f}\n".format(tRes,p2PH,p1PH)
fDeb.write(sOut)
K = NP.exp(logK)
WO.writeArrayDebug(fDeb,K,"Post-sweepPsat: K")
pDIF = p1PH - p2PH
if p2PH >= p1PH :
print("calcSat: can't find valid search range - Error")
Ksat = NP.zeros(nCom)
pSat = -1.0
return qBub,pSat,Ksat
#-- Load Feed Composition -------------------------------------------
Z = NP.zeros(nCom)
for iC in range(nCom) : Z[iC] = clsSAM.gZI(iC)
#== Test the logK-values have the right sign! =========================
logL = -1.0*logK
tol21,yMol,res0,dFdP = calcFugDerv(qBub,pSat,tRes,Z,logK,clsEOS)
tol22,yMol,res0,dFdP = calcFugDerv(qBub,pSat,tRes,Z,logL,clsEOS)
if qDeb :
sOut = "Initial tol21,tol22 {:10.3e} {:10.3e}\n".format(tol21,tol22)
fDeb.write(sOut)
if tol21 > tol22 :
logK = logL
K = NP.exp(logK)
if qDeb : WO.writeArrayDebug(fDeb,K,"Post-tol2: K")
#----------------------------------------------------------------------
# Main Loop
#----------------------------------------------------------------------
iPSA = 0
while iPSA < mPSA :
iPSA += 1
#-- Get Fugacity Coeffs and their Pressure-Derivatives --------------
if iPSA > 1 : res1 = res0 #-- Copy 'last' residual for GDEM
tol2,yMol,res0,dFdP = calcFugDerv(qBub,pSat,tRes,Z,logK,clsEOS)
resX = NP.exp(res0)
#== Is this a GDEM Step? If so, calculate Single Eigenvalue ==========
if iPSA % CO.mGDEM1 > 0 : eigV = 1.0
else : eigV = UT.GDEM1(res0,res1,clsIO)
#== Perform Update; Calculate Various Sums ============================
yMol = yMol*resX #-- W&B Eqn.(4.83) with lambda=1
dQdp = NP.dot(yMol,dFdP) #-- W&B Eqn.(4.86)
qFun = NP.sum(yMol) #-- W&B Eqn.(4.87a)
wrk0 = eigV*res0 #-- W&B Eqn.(4.83) with any lambda
logK = logK + wrk0
#-- Test for Trivial Solution [all K's -> 1] ------------------------
triV = NP.dot(logK,logK) #-- W&B Eqn.(4.88)
#== SS or GDEM step? If GDEM, re-compute Yi afresh ===================
if eigV == 1.0 :
sumY = qFun
else :
K = NP.exp(logK)
yMol = Z*K
sumY = NP.sum(yMol)
if qDeb :
WO.writeArrayDebug(fDeb,K,"Post-GDEM: K")
qFun = 1.0 - qFun
tol1 = abs(1.0 - sumY) #-- W&B Eqn.(4.87a)
#== Pressure Update (Newton) ==========================================
if abs(dQdp) < CO.macEPS :
print("calcSat: Can't update Psat [dQdp = 0] - Error")
Ksat = NP.zeros(nCom)
pSat = -1.0
return qBub,pSat,Ksat
dPrs = - qFun/dQdp
pOld = pSat
pSat = pSat + dPrs #-- W&B Eqn.(4.85)
if qDeb :
sOut = "iPSA,qFun,dQdp,to11,tol2,triV,eigV,dPrs,pSat {:3d} {:10.3e} {:10.3e} {:10.3e} {:10.3e} {:10.3e} {:10.3e} {:10.3e} {:10.4f}\n"\
.format(iPSA,qFun,dQdp,tol1,tol2,triV,eigV,dPrs,pSat)
fDeb.write(sOut)
if pSat > p1PH or pSat < p2PH :
#print("pSat>p1PH: p2PH,p1PH,pSat {:10.3f} {:10.3f} {:10.3f}".format(p2PH,p1PH,pSat))
pSat,logK = rescuePsat(qBub,p2PH,p1PH,tRes,Z,clsEOS,clsIO)
break
#== Converged? ========================================================
if tol1 < 1.0E-12 and tol2 < 1.0E-08 : #-- Hard to acheive 1E-13
qCon = True
break
#== Trivial Solution? =================================================
if triV < 1.0E-04 :
qTrv = True
print("calcPsat: Trivial Solution?")
break
#== Pressure-Step too big? ============================================
"""
if pSat > p1PH :
#pSat = pOld + 0.001
if qDeb :
sOut = "p2PH,p1PH,pSat {:10.3f} {:10.3f} {:10.3f}\n".format(p2PH,p1PH,pSat)
fDeb.write(sOut)
elif pSat < p2PH :
pSat = pOld + 0.5*pDIF
else :
p2PH = pSat
pDIF = p1PH - p2PH
"""
#========================================================================
# Converged: Calculate K-Values
#========================================================================
Ksat = NP.exp(logK)
#== Ensure the K-Values are the 'Right-Way-Up' ========================
if Ksat[nCom-1] > 1.0 :
qBub = False
#qBub = not qBub
Ksat = NP.divide(1.0,Ksat)
if qDeb :
sOut = "End-calcPsat: K-Values Flipped\n"
fDeb.write(sOut)
else :
qBub = True
if qDeb :
sOut = "End-calcPsat: K-Values OK\n"
fDeb.write(sOut)
return qBub,pSat,Ksat
def calcTsat(pRes,clsEOS,clsSAM,clsIO) :
nCom = clsEOS.NC
mTSA = 101
if clsIO.Deb["TSAT"] > 0 :
qDeb = True
fDeb = clsIO.fDeb
else :
qDeb = False
#-- Load Feed Composition -------------------------------------------
Z = NP.zeros(nCom)
for iC in range(nCom) : Z[iC] = clsSAM.gZI(iC)
#== Pre-Sweep; 2-Phase/1-Phase Temperature Bounds =====================
t2PH,t1PH,logK = boundTsat(pRes,Z,clsEOS,clsIO)
tRes = t2PH #-- This will be our iteration parameter
if qDeb :
sOut = "calcTsat: pRes,t2PH,t1PH {:8.3f} {:10.3f} {:10.3f}\n".format(pRes,t2PH,t1PH)
fDeb.write(sOut)
K = NP.exp(logK)
WO.writeArrayDebug(fDeb,K,"Post-boundTsat: K")
#----------------------------------------------------------------------
# Main Iterative Loop
#----------------------------------------------------------------------
iTSA = 0
iPhs = 0
qPD = False
qTD = True
qXD = False
K = NP.exp(logK)
yMol = Z*K
while iTSA < mTSA :
iTSA += 1
if iTSA > 1 : res1 = res0 #-- Copy 'last' residual for GDEM
#== Log Fug Coefs and their T-derivatives for Feed and Trial Phase ====
fugZ,dZdP,dZdT,dumM = CE.calcPhaseFugPTX(iPhs,qPD,qTD,qXD,pRes,tRes,Z,clsEOS)
#-- Get Normalised Trial Composition --------------------------------
yNor = UT.Norm(yMol)
fugY,dYdP,dYdT,dumM = CE.calcPhaseFugPTX(iPhs,qPD,qTD,qXD,pRes,tRes,yNor,clsEOS)
#== Residual and Derivative Difference ================================
res0 = fugZ - fugY - logK #-- Vector
dFdT = dYdT - dZdT #-- Vector
#== Calculate tol2 =====================================================
tol2 = calcTOL2(logK,res0)
resX = NP.exp(res0)
#== Is this a GDEM Step? If so, calculate Single Eigenvalue ==========
if iTSA % CO.mGDEM1 > 0 : eigV = 1.0
else : eigV = UT.GDEM1(res0,res1,clsIO)
#== Perform Update; Calculate Various Sums ============================
yMol = yMol*resX #-- W&B Eqn.(4.83) with lambda=1
dQdT = NP.dot(yMol,dFdT) #-- W&B Eqn.(4.86)
qFun = NP.sum(yMol) #-- W&B Eqn.(4.87a)
wrk0 = eigV*res0 #-- W&B Eqn.(4.83) with any lambda
logK = logK + wrk0
#-- Test for Trivial Solution [all K's -> 1] ------------------------
triV = NP.dot(logK,logK) #-- W&B Eqn.(4.88)
#== SS or GDEM step? If GDEM, re-compute Yi afresh ===================
if eigV == 1.0 :
sumY = qFun
else :
K = NP.exp(logK)
yMol = Z*K
sumY = NP.sum(yMol)
if qDeb :
WO.writeArrayDebug(fDeb,K,"Post-GDEM: K")
qFun = 1.0 - qFun
tol1 = abs(1.0 - sumY) #-- W&B Eqn.(4.87a)
#== Pressure Update (Newton) ==========================================
dTem = - qFun/dQdT
tOld = tRes
tRes = tRes + dTem #-- W&B Eqn.(4.85)
if qDeb :
sOut = "iTSA,qFun,dQdT,to11,tol2,triV,eigV,dTem,tRes {:3d} {:10.3e} {:10.3e} {:10.3e} {:10.3e} {:10.3e} {:10.3e} {:10.3e} {:10.4f}\n"\
.format(iTSA,qFun,dQdT,tol1,tol2,triV,eigV,dTem,tRes)
fDeb.write(sOut)
#== Converged? ========================================================
if tol1 < 1.0E-12 and tol2 < 1.0E-08 : #-- Hard to acheive 1E-13
qCon = True
break
#== Trivial Solution? =================================================
if triV < 1.0E-04 :
qTrv = True
print("calcPsat: Trivial Solution?")
break
#========================================================================
# Converged: Calculate K-Values
#========================================================================
Ksat = NP.exp(logK)
#== Ensure the K-Values are the 'Right-Way-Up' ========================
if Ksat[nCom-1] > 1.0 :
qBub = False
#qBub = not qBub
#Ksat = NP.divide(1.0,Ksat)
if qDeb :
sOut = "End-calcTsat: K-Values NOT Flipped\n"
fDeb.write(sOut)
else :
qBub = True
if qDeb :
sOut = "End-calcTsat: K-Values OK\n"
fDeb.write(sOut)
#== Return values =====================================================
return qBub,tRes,Ksat
def calcStepGRD(dDep, pDep, tRes, zRef, fRef, clsEOS, clsIO):
mxSS = 50
nCom = clsEOS.NC
iLiq = 0
zDep = NP.zeros(nCom) #-- Composition at this Depth
yMol = NP.zeros(nCom)
res0 = NP.zeros(nCom)
res1 = NP.zeros(nCom)
fBar = NP.zeros(nCom)
#-- Gravity Correction: Whitson Eqn.(4.96) --------------------------
grvC = dDep / (144 * CO.gasCon * tRes)
#print("dDep,grvC {:10.3f} {:10.3e}".format(dDep,grvC))
for iC in range(nCom):
zDep[iC] = zRef[iC]
fBar[iC] = fRef[iC] * exp(
grvC * clsEOS.gPP("MW", iC)) #-- W&B Eqn.(4.96)
#======================================================================
# Main Iterative Loop
#======================================================================
iSS = 0 #-- Successive-Substitution Counter
qConv = False
while not qConv:
iSS += 1
if iSS > mxSS: break #-- Not converged!
#-- Fugacity Coefs and their P-Derivatives of New Fluid -------------
fDep, dFdP = setupCalcGRDCoefsP(iLiq, pDep, tRes, zDep, clsEOS)
#-- Mole Numbers: Whitson Eqn.(4.95) --------------------------------
sumY = 0.0
dQdP = 0.0
for iC in range(nCom):
res1[iC] = res0[iC]
res0[iC] = fBar[iC] / fDep[iC] #-- W&B Eqn.(4.97a)
yMol[iC] = zDep[iC] * res0[iC] #-- W&B Eqn.(4.95)
sumY = sumY + yMol[iC]
dQdP = dQdP + yMol[iC] * dFdP[iC] / fDep[
iC] #-- W&B Eqn.(4.100) - WRONG!!
sumR = 1.0 / sumY
for iC in range(nCom):
res0[iC] = sumR * res0[iC] #-- W&B Eqn.(4.97b)
qFun = 1.0 - sumY #-- W&B Eqn.(4.94)
dPrs = -qFun / dQdP #-- W&B Eqn.(4.99a)
pDep = pDep + dPrs #-- W&B Eqn.(4.99b)
#== Converged? ========================================================
cTst = 0.0
for iC in range(nCom):
cWrk = log(res0[iC] * zDep[iC] / yMol[iC])
cTst = cTst + cWrk
cTst = cTst * cTst
if cTst < 1.0E-13 and abs(dPrs) < 1.0E-06: break
#== SS or GDEM Update? W&B Eqn.(4.83) =================================
if iSS % CO.mGDEM1 > 0: eigV = 1.0
else:
res0 = NP.log(res0) #-- Take logs of Residuals
res1 = NP.log(res1)
eigV = UT.GDEM1(res0, res1, clsIO) #-- GDEM works on log-Residuals
res0 = NP.exp(res0) #-- Restore Residuals
res1 = NP.exp(res1)
#print("calcStepGRD: iSS,qFun,dQdP,eigV,dPrs,cTst {:2d} {:10.3e} {:10.3e} {:8.3f} {:10.3e} {:10.3e}".format(iSS,qFun,dQdP,eigV,dPrs,cTst))
for iC in range(nCom):
yMol[iC] = yMol[iC] * pow(res0[iC], eigV)
#-- Mole Numbers to Composition -------------------------------------
sumY = 0.0
for iC in range(nCom):
sumY = sumY + yMol[iC]
sumR = 1.0 / sumY
for iC in range(nCom):
zDep[iC] = sumR * yMol[iC]
#== Return the updated pressure and composition =======================
#print("calcStepGRD: iSS,pDep {:2d} {:10.3f}".format(iSS,pDep))
return pDep, zDep