Clinopyroxene - number of endmember species equivalent to number of endmember components¶
Required Python code to load the phase library.
from ctypes import cdll
from ctypes import util
from rubicon.objc import ObjCClass, objc_method
cdll.LoadLibrary(util.find_library('phaseobjc'))
/Users/ghiorso/anaconda3/lib/python3.7/site-packages/rubicon/objc/ctypes_patch.py:24: UserWarning: rubicon.objc.ctypes_patch has only been tested with Python 3.4 through 3.6. The current version is sys.version_info(major=3, minor=7, micro=6, releaselevel='final', serial=0). Most likely things will work properly, but you may experience crashes if Python's internals have changed significantly.
.format(sys.version_info)
<CDLL '/usr/local/lib/libphaseobjc.dylib', handle 7fc0e7cd3c80 at 0x7fc09854ab10>
Create a Python reference to the Clinopyroxene solution phase class, and instantiate an instance of that class.¶
Cpx = ObjCClass('CpxBerman')
obj = Cpx.alloc().init()
Obtain properties of the phase inherited from the PhaseBase class.¶
print (obj.phaseName)
Clinopyroxene
Solution Protocol Functions¶
Solution component and species number:¶
➜ Retrieves the number of endmember components in the system
(NSUInteger)numberOfSolutionComponents
➜ Retrieves the number of species (dependent endmembers with positive mole fractions) in the soluton
(NSUInteger)numberOfSolutionSpecies
Note that the number of components (nc) may be the same as the number of endmember species (ns) if the solution does not involve speciation (complexing) or if the solid solution is not a reciprocal solution.
nc = obj.numberOfSolutionComponents()
print ('Number of components = ', nc)
ns = obj.numberOfSolutionSpecies()
print ('Number of species = ', ns)
Number of components = 7
Number of species = 14
Information about solution components:¶
Return name, formula, and molecular weight of each endmember component
in the solution. Note the use of the PhaseBase class (For further
information, see the Stoichiometric Phase notebook examples).
➜ Retrieves superclass instance of PhaseBase object for component at
specified index
(id)componentAtIndex:(NSUInteger)index
PhaseBase = ObjCClass('PhaseBase')
print ("{0:>20s} {1:>20s} {2:>15s}".format('component name', 'formula', 'MW (g/mol)'))
for i in range(0, nc):
component = obj.componentAtIndex_(i)
print ("{0:>20s} {1:>20s} {2:15.3f}".format(component.phaseName, component.phaseFormula, component.mw))
component name formula MW (g/mol)
diopside CaMgSi2O6 216.552
clinoenstatite Mg2Si2O6 200.777
hedenbergite CaFeSi2O6 248.094
alumino-buffonite CaTi0.5Mg0.5AlSiO6 227.246
buffonite CaTi0.5Mg0.5FeSiO6 256.111
essenite CaFeAlSiO6 246.990
jadeite NaAlSi2O6 202.139
Create a vector of moles of endmember components.¶
Allocate a “c”-type pointer to a double precision one-dimensional array, and initialize the array to hold the moles of each component in the solution.
import ctypes
m = (ctypes.c_double*nc)()
ctypes.cast(m, ctypes.POINTER(ctypes.c_double))
m[0] = 1.0
m[1] = 2.0
m[2] = 3.0
m[3] = 1.5
m[4] = -1.3
m[5] = 1.4
m[6] = 0.5
for i in range (0, nc):
component = obj.componentAtIndex_(i)
print ('moles of (', component.phaseName.ljust(20), ') = ', m[i])
moles of ( diopside ) = 1.0
moles of ( clinoenstatite ) = 2.0
moles of ( hedenbergite ) = 3.0
moles of ( alumino-buffonite ) = 1.5
moles of ( buffonite ) = -1.3
moles of ( essenite ) = 1.4
moles of ( jadeite ) = 0.5
Note that moles can be assigned from a vector of element abundances using the following functions:¶
➜ Moles of elements (standard order) => Moles of endmember components of the phase
(DoubleVector *)convertElementsToMoles:(double *)e
➜ Moles of elements (standard order) => Total moles of endmember components of the phase
(double)convertElementsToTotalMoles:(double *)e
➜ Moles of elements (standard order) => Total mass of the phase (g)
(double)convertElementsToTotalMass:(double *)e
e = (ctypes.c_double*107)()
ctypes.cast(e, ctypes.POINTER(ctypes.c_double))
for i in range (0, 107):
e[i] = 0.0
e[8] = m[0]*6.0 + m[1]*6.0 + m[2]*6.0 + m[3]*6.0 + m[4]*6.0 + m[5]*6.0 + m[6]*6.0 # O
e[11] = m[6] # Na
e[12] = m[0] + m[1]*2.0 + m[3]*0.5 + m[4]*0.5 # Mg
e[13] = m[3] + m[5] + m[6] # Al
e[14] = m[0]*2.0 + m[1]*2.0 + m[2]*2.0 + m[3] + m[4] + m[5] + 2.0*m[6] # Si
e[20] = m[0] + m[2] + m[3] + m[4] + m[5] # Ca
e[22] = m[3]*0.5 + m[4]*0.5 # Ti
e[26] = m[2] + m[4] + m[5] # Fe
mCompute = obj.convertElementsToMoles_(e)
for i in range (0, nc):
component = obj.componentAtIndex_(i)
print ('assumed moles of {0:<10s} = {1:5.1f} computed = {2:5.1f}'.format(component.phaseName, m[i],
mCompute.valueAtIndex_(i)))
print ('Computed total number of moles = ', obj.convertElementsToTotalMoles_(e))
print ('Computed total mass = ', obj.convertElementsToTotalMass_(e))
assumed moles of diopside = 1.0 computed = 1.0
assumed moles of clinoenstatite = 2.0 computed = 2.0
assumed moles of hedenbergite = 3.0 computed = 3.0
assumed moles of alumino-buffonite = 1.5 computed = 1.5
assumed moles of buffonite = -1.3 computed = -1.3
assumed moles of essenite = 1.4 computed = 1.4
assumed moles of jadeite = 0.5 computed = 0.5
Computed total number of moles = 8.1
Computed total mass = 1817.1704610000002
Test the mole vector and output derived quantities:¶
➜ Moles of endmember components => validity of input values
(BOOL)testPermissibleValuesOfComponents:(double *)m
➜ Moles of endmember components => Moles of elements (standard order)
(DoubleVector *)convertMolesToElements:(double *)m
➜ Moles of endmember components => Molar sum
(double)totalMolesFromMolesOfComponents:(double *)m
➜ Moles of endmember components => Mole fractions of endmember components
(DoubleVector *)convertMolesToMoleFractions:(double *)m
if (obj.testPermissibleValuesOfComponents_(m) == 1):
print ('mole input is feasible')
else:
print ('mole input is infeasible')
print ('Total moles = ', obj.totalMolesFromMolesOfComponents_(m))
mole_frac_pointer = obj.convertMolesToMoleFractions_(m)
print ('{0:<20s}{1:<20s}{2:>20s}'.format('component name', 'component formula', 'mole fraction'))
for i in range (0, nc):
print ('{0:<20s}{1:<20s}{2:20.13e}'.format(obj.componentAtIndex_(i).phaseName,
obj.componentAtIndex_(i).phaseFormula,
mole_frac_pointer.valueAtIndex_(i)))
moles_pointer = obj.convertMolesToElements_(m)
ne = moles_pointer.size
formula = ''
for i in range(0, ne):
value = moles_pointer.valueAtIndex_(i)
if value != 0.0:
name = PhaseBase.elementNameFromAtomicNumber_(i)
formula = formula + name + '(' + str(value) + ')'
print ('Solution formula = ', formula)
mole input is feasible
Total moles = 8.1
component name component formula mole fraction
diopside CaMgSi2O6 1.2345679012346e-01
clinoenstatite Mg2Si2O6 2.4691358024691e-01
hedenbergite CaFeSi2O6 3.7037037037037e-01
alumino-buffonite CaTi0.5Mg0.5AlSiO6 1.8518518518519e-01
buffonite CaTi0.5Mg0.5FeSiO6 -1.6049382716049e-01
essenite CaFeAlSiO6 1.7283950617284e-01
jadeite NaAlSi2O6 6.1728395061728e-02
Solution formula = O(48.6)Na(0.5)Mg(5.1)Al(3.4)Si(14.6)Ca(5.6)Ti(0.09999999999999998)Fe(3.0999999999999996)
Compute activities and chemical potentials of endmember components:¶
➜ Moles of components, T (K), P (bars) => activities of endmember components
(DoubleVector *)getActivityFromMolesOfComponents:(double *)m andT:(double)t andP:(double)p
➜ Moles of components, T (K), P (bars) => chemical potentials of endmember components (J)
(DoubleVector *)getChemicalPotentialFromMolesOfComponents:(double *)m andT:(double)t andP:(double)p
t = 1000.0
p = 1000.0
activity = obj.getActivityFromMolesOfComponents_andT_andP_(m, t, p)
potential = obj.getChemicalPotentialFromMolesOfComponents_andT_andP_(m, t, p)
print ('{0:<20s} {1:>20s} {2:>20s}'.format('component', 'activity', 'chemical potential'))
for i in range (0, nc):
component = obj.componentAtIndex_(i)
print ('{0:<20s} {1:20.13e} {2:20.13e}'.format(component.phaseName,
activity.valueAtIndex_(i),
potential.valueAtIndex_(i)))
component activity chemical potential
diopside 5.4339210428822e-01 -3.4450276296895e+06
clinoenstatite 3.6620618253059e-01 -3.3265693414830e+06
hedenbergite 2.0710734522041e-01 -3.1282135794144e+06
alumino-buffonite 8.2583290211142e-01 -3.5283913273026e+06
buffonite 1.4172341259723e-02 -3.1491507685069e+06
essenite 4.1697879900223e-02 -3.1743250543351e+06
jadeite 4.0521374174147e-02 -3.2794771577169e+06
Gibbs free energy and its compositional derivatives:¶
➜ Moles of components, T (K), P (bars) => Gibbs free energy (J)
(double)getGibbsFreeEnergyFromMolesOfComponents:(double *)m andT:(double)t andP:(double)p
➜ Moles of components, T (K), P (bars) => d(Gibbs free energy)/d(Moles of components) (J)
(DoubleVector *)getDgDmFromMolesOfComponents:(double *)m andT:(double)t andP:(double)p
➜ Moles of components, T (K), P (bars) => d^2(Gibbs free energy)/d(Moles of components)^2 (J)
(DoubleMatrix *)getD2gDm2FromMolesOfComponents:(double *)m andT:(double)t andP:(double)p
➜ Moles of components, T (K), P (bars) => d^3(Gibbs free energy)/d(Moles of components)^3 (J)
(DoubleTensor *)getD3gDm3FromMolesOfComponents:(double *)m andT:(double)t andP:(double)p
print ('Gibbs free energy (J) = ', obj.getGibbsFreeEnergyFromMolesOfComponents_andT_andP_(m, t, p))
dgdm = obj.getDgDmFromMolesOfComponents_andT_andP_(m, t, p)
print ("")
for i in range (0, nc):
print ('dg/dm (', i, ') = ', dgdm.valueAtIndex_(i))
print ("")
d2gdm2 = obj.getD2gDm2FromMolesOfComponents_andT_andP_(m, t, p)
for i in range (0, nc):
for j in range (0, nc):
print ('d2g/dm2 (', i, ') (', j, ') = ', d2gdm2.valueAtRowIndex_andColIndex_(i, j))
print ("")
d3gdm3 = obj.getD3gDm3FromMolesOfComponents_andT_andP_(m, t, p)
for i in range (0, nc):
for j in range (0, nc):
for k in range (0, nc):
print ('d3g/dm3 (', i, ') (', j, ') (', k, ') = ', d3gdm3.valueAtFirstIndex_andSecondIndex_andThirdIndex_(i, j, k))
Gibbs free energy (J) = -26765291.69772121
dg/dm ( 0 ) = -3445027.629689464
dg/dm ( 1 ) = -3326569.3414830053
dg/dm ( 2 ) = -3128213.579414352
dg/dm ( 3 ) = -3528391.327302648
dg/dm ( 4 ) = -3149150.7685068524
dg/dm ( 5 ) = -3174325.0543351285
dg/dm ( 6 ) = -3279477.157716875
d2g/dm2 ( 0 ) ( 0 ) = 577.451325640708
d2g/dm2 ( 0 ) ( 1 ) = 944.5339793407175
d2g/dm2 ( 0 ) ( 2 ) = -216.5516977318639
d2g/dm2 ( 0 ) ( 3 ) = -955.4593837687955
d2g/dm2 ( 0 ) ( 4 ) = -612.1951461999807
d2g/dm2 ( 0 ) ( 5 ) = -490.2278652876815
d2g/dm2 ( 0 ) ( 6 ) = -986.4195882611632
d2g/dm2 ( 1 ) ( 0 ) = 944.5339793407175
d2g/dm2 ( 1 ) ( 1 ) = 4090.4566487442453
d2g/dm2 ( 1 ) ( 2 ) = -2992.4628738391184
d2g/dm2 ( 1 ) ( 3 ) = 1455.0547636848783
d2g/dm2 ( 1 ) ( 4 ) = 3207.2896103602493
d2g/dm2 ( 1 ) ( 5 ) = 1302.2196754686713
d2g/dm2 ( 1 ) ( 6 ) = 31.456293946018263
d2g/dm2 ( 2 ) ( 0 ) = -216.55169773186395
d2g/dm2 ( 2 ) ( 1 ) = -2992.4628738391175
d2g/dm2 ( 2 ) ( 2 ) = 2989.9683051394177
d2g/dm2 ( 2 ) ( 3 ) = -1563.9134780782463
d2g/dm2 ( 2 ) ( 4 ) = -2427.296116307686
d2g/dm2 ( 2 ) ( 5 ) = -2182.6605201358548
d2g/dm2 ( 2 ) ( 6 ) = -1044.6349518011739
d2g/dm2 ( 3 ) ( 0 ) = -955.4593837687956
d2g/dm2 ( 3 ) ( 1 ) = 1455.0547636848776
d2g/dm2 ( 3 ) ( 2 ) = -1563.9134780782456
d2g/dm2 ( 3 ) ( 3 ) = 15820.252805335742
d2g/dm2 ( 3 ) ( 4 ) = 12789.958058397251
d2g/dm2 ( 3 ) ( 5 ) = -2860.7542813212517
d2g/dm2 ( 3 ) ( 6 ) = -722.5748952073358
d2g/dm2 ( 4 ) ( 0 ) = -612.1951461999807
d2g/dm2 ( 4 ) ( 1 ) = 3207.289610360248
d2g/dm2 ( 4 ) ( 2 ) = -2427.2961163076857
d2g/dm2 ( 4 ) ( 3 ) = 12789.95805839725
d2g/dm2 ( 4 ) ( 4 ) = 95035.04688101422
d2g/dm2 ( 4 ) ( 5 ) = 76900.64205519359
d2g/dm2 ( 4 ) ( 6 ) = -3641.5414902917464
d2g/dm2 ( 5 ) ( 0 ) = -490.2278652876821
d2g/dm2 ( 5 ) ( 1 ) = 1302.2196754686709
d2g/dm2 ( 5 ) ( 2 ) = -2182.660520135853
d2g/dm2 ( 5 ) ( 3 ) = -2860.754281321254
d2g/dm2 ( 5 ) ( 4 ) = 76900.64205519359
d2g/dm2 ( 5 ) ( 5 ) = 79661.21511506289
d2g/dm2 ( 5 ) ( 6 ) = -5659.929985193169
d2g/dm2 ( 6 ) ( 0 ) = -986.4195882611608
d2g/dm2 ( 6 ) ( 1 ) = 31.456293946020423
d2g/dm2 ( 6 ) ( 2 ) = -1044.6349518011712
d2g/dm2 ( 6 ) ( 3 ) = -722.574895207335
d2g/dm2 ( 6 ) ( 4 ) = -3641.5414902917446
d2g/dm2 ( 6 ) ( 5 ) = -5659.929985193171
d2g/dm2 ( 6 ) ( 6 ) = 16662.344480949632
d3g/dm3 ( 0 ) ( 0 ) ( 0 ) = 55.78920067831597
d3g/dm3 ( 0 ) ( 0 ) ( 1 ) = -8.041065459832481
d3g/dm3 ( 0 ) ( 0 ) ( 2 ) = -14.779774876809526
d3g/dm3 ( 0 ) ( 0 ) ( 3 ) = 105.32514451958218
d3g/dm3 ( 0 ) ( 0 ) ( 4 ) = 157.86949583597743
d3g/dm3 ( 0 ) ( 0 ) ( 5 ) = 77.02793387052434
d3g/dm3 ( 0 ) ( 0 ) ( 6 ) = 69.34693506409621
d3g/dm3 ( 0 ) ( 1 ) ( 0 ) = 121.98560008470508
d3g/dm3 ( 0 ) ( 1 ) ( 1 ) = 442.5969532343207
d3g/dm3 ( 0 ) ( 1 ) ( 2 ) = -60.455339751644146
d3g/dm3 ( 0 ) ( 1 ) ( 3 ) = 254.61064105072796
d3g/dm3 ( 0 ) ( 1 ) ( 4 ) = 464.15322653668466
d3g/dm3 ( 0 ) ( 1 ) ( 5 ) = 124.92431338399336
d3g/dm3 ( 0 ) ( 1 ) ( 6 ) = -4.90652726410849
d3g/dm3 ( 0 ) ( 2 ) ( 0 ) = -110.58815255726262
d3g/dm3 ( 0 ) ( 2 ) ( 1 ) = 101.73354662920016
d3g/dm3 ( 0 ) ( 2 ) ( 2 ) = -256.46501627844964
d3g/dm3 ( 0 ) ( 2 ) ( 3 ) = -95.31491702534586
d3g/dm3 ( 0 ) ( 2 ) ( 4 ) = -155.1506035906118
d3g/dm3 ( 0 ) ( 2 ) ( 5 ) = -43.412918013079604
d3g/dm3 ( 0 ) ( 2 ) ( 6 ) = -13.678765434634236
d3g/dm3 ( 0 ) ( 3 ) ( 0 ) = 167.61538971859648
d3g/dm3 ( 0 ) ( 3 ) ( 1 ) = -65.40127235080325
d3g/dm3 ( 0 ) ( 3 ) ( 2 ) = 62.78370585412148
d3g/dm3 ( 0 ) ( 3 ) ( 3 ) = 248.94344348687147
d3g/dm3 ( 0 ) ( 3 ) ( 4 ) = 324.75016727121556
d3g/dm3 ( 0 ) ( 3 ) ( 5 ) = 224.06232499161675
d3g/dm3 ( 0 ) ( 3 ) ( 6 ) = 210.19502607655667
d3g/dm3 ( 0 ) ( 4 ) ( 0 ) = 263.10961480748244
d3g/dm3 ( 0 ) ( 4 ) ( 1 ) = 13.144198129056718
d3g/dm3 ( 0 ) ( 4 ) ( 2 ) = 45.89789306134633
d3g/dm3 ( 0 ) ( 4 ) ( 3 ) = 367.7000410437063
d3g/dm3 ( 0 ) ( 4 ) ( 4 ) = 484.158601968835
d3g/dm3 ( 0 ) ( 4 ) ( 5 ) = 329.22390408240983
d3g/dm3 ( 0 ) ( 4 ) ( 6 ) = 265.8672419394313
d3g/dm3 ( 0 ) ( 5 ) ( 0 ) = 120.47755700895874
d3g/dm3 ( 0 ) ( 5 ) ( 1 ) = -137.62370273276946
d3g/dm3 ( 0 ) ( 5 ) ( 2 ) = 95.84508280580798
d3g/dm3 ( 0 ) ( 5 ) ( 3 ) = 205.22170293103696
d3g/dm3 ( 0 ) ( 5 ) ( 4 ) = 267.4334082493392
d3g/dm3 ( 0 ) ( 5 ) ( 5 ) = 194.52065983676627
d3g/dm3 ( 0 ) ( 5 ) ( 6 ) = 154.63238457639204
d3g/dm3 ( 0 ) ( 6 ) ( 0 ) = 89.18516790991765
d3g/dm3 ( 0 ) ( 6 ) ( 1 ) = -195.43980298840142
d3g/dm3 ( 0 ) ( 6 ) ( 2 ) = 101.96784509164031
d3g/dm3 ( 0 ) ( 6 ) ( 3 ) = 167.74301372336387
d3g/dm3 ( 0 ) ( 6 ) ( 4 ) = 180.4653558137479
d3g/dm3 ( 0 ) ( 6 ) ( 5 ) = 131.0209942837789
d3g/dm3 ( 0 ) ( 6 ) ( 6 ) = 93.35866218052266
d3g/dm3 ( 1 ) ( 0 ) ( 0 ) = -124.8382159330601
d3g/dm3 ( 1 ) ( 0 ) ( 1 ) = -113.69723106171182
d3g/dm3 ( 1 ) ( 0 ) ( 2 ) = 90.39715951007256
d3g/dm3 ( 1 ) ( 0 ) ( 3 ) = -275.92284464892185
d3g/dm3 ( 1 ) ( 0 ) ( 4 ) = -436.183116163927
d3g/dm3 ( 1 ) ( 0 ) ( 5 ) = -189.61635216929537
d3g/dm3 ( 1 ) ( 0 ) ( 6 ) = -166.1893058096897
d3g/dm3 ( 1 ) ( 1 ) ( 0 ) = 16.329434482825718
d3g/dm3 ( 1 ) ( 1 ) ( 1 ) = -2534.4965273252656
d3g/dm3 ( 1 ) ( 1 ) ( 2 ) = 572.7743009836909
d3g/dm3 ( 1 ) ( 1 ) ( 3 ) = -388.17694046354376
d3g/dm3 ( 1 ) ( 1 ) ( 4 ) = -1027.2818261957111
d3g/dm3 ( 1 ) ( 1 ) ( 5 ) = 7.366358919996799
d3g/dm3 ( 1 ) ( 1 ) ( 6 ) = 403.3504228967072
d3g/dm3 ( 1 ) ( 2 ) ( 0 ) = -5.411218170380522
d3g/dm3 ( 1 ) ( 2 ) ( 1 ) = 734.9631873645354
d3g/dm3 ( 1 ) ( 2 ) ( 2 ) = 439.51321617923963
d3g/dm3 ( 1 ) ( 2 ) ( 3 ) = -51.99458654272644
d3g/dm3 ( 1 ) ( 2 ) ( 4 ) = 130.5042574813345
d3g/dm3 ( 1 ) ( 2 ) ( 5 ) = -210.2956835301387
d3g/dm3 ( 1 ) ( 2 ) ( 6 ) = -300.9848488943971
d3g/dm3 ( 1 ) ( 3 ) ( 0 ) = -213.63259944990764
d3g/dm3 ( 1 ) ( 3 ) ( 1 ) = -708.1888538650752
d3g/dm3 ( 1 ) ( 3 ) ( 2 ) = 106.1040363367409
d3g/dm3 ( 1 ) ( 3 ) ( 3 ) = -461.68316344314644
d3g/dm3 ( 1 ) ( 3 ) ( 4 ) = -692.8936709853957
d3g/dm3 ( 1 ) ( 3 ) ( 5 ) = -385.7957520326195
d3g/dm3 ( 1 ) ( 3 ) ( 6 ) = -343.50049034168626
d3g/dm3 ( 1 ) ( 4 ) ( 0 ) = -330.9429971924221
d3g/dm3 ( 1 ) ( 4 ) ( 1 ) = -1478.290854603339
d3g/dm3 ( 1 ) ( 4 ) ( 2 ) = 331.5527541332925
d3g/dm3 ( 1 ) ( 4 ) ( 3 ) = -649.9437972129052
d3g/dm3 ( 1 ) ( 4 ) ( 4 ) = -1005.1424080345486
d3g/dm3 ( 1 ) ( 4 ) ( 5 ) = -532.5915794809509
d3g/dm3 ( 1 ) ( 4 ) ( 6 ) = -339.35375994486697
d3g/dm3 ( 1 ) ( 5 ) ( 0 ) = -146.1667290308609
d3g/dm3 ( 1 ) ( 5 ) ( 1 ) = -255.18165719676597
d3g/dm3 ( 1 ) ( 5 ) ( 2 ) = -71.03768271125107
d3g/dm3 ( 1 ) ( 5 ) ( 3 ) = -404.63637409319915
d3g/dm3 ( 1 ) ( 5 ) ( 4 ) = -594.3820753140214
d3g/dm3 ( 1 ) ( 5 ) ( 5 ) = -371.9981926556737
d3g/dm3 ( 1 ) ( 5 ) ( 6 ) = -250.33895311153236
d3g/dm3 ( 1 ) ( 6 ) ( 0 ) = -146.35107296386838
d3g/dm3 ( 1 ) ( 6 ) ( 1 ) = 212.81714717241428
d3g/dm3 ( 1 ) ( 6 ) ( 2 ) = -185.33823836812266
d3g/dm3 ( 1 ) ( 6 ) ( 3 ) = -385.9525026948792
d3g/dm3 ( 1 ) ( 6 ) ( 4 ) = -424.7556460705507
d3g/dm3 ( 1 ) ( 6 ) ( 5 ) = -273.9503434041451
d3g/dm3 ( 1 ) ( 6 ) ( 6 ) = -159.08023048921365
d3g/dm3 ( 2 ) ( 0 ) ( 0 ) = 55.78920067831597
d3g/dm3 ( 2 ) ( 0 ) ( 1 ) = -8.041065459832481
d3g/dm3 ( 2 ) ( 0 ) ( 2 ) = -14.779774876809526
d3g/dm3 ( 2 ) ( 0 ) ( 3 ) = 105.32514451958218
d3g/dm3 ( 2 ) ( 0 ) ( 4 ) = 157.86949583597743
d3g/dm3 ( 2 ) ( 0 ) ( 5 ) = 77.02793387052434
d3g/dm3 ( 2 ) ( 0 ) ( 6 ) = 69.34693506409621
d3g/dm3 ( 2 ) ( 1 ) ( 0 ) = 121.98560008470508
d3g/dm3 ( 2 ) ( 1 ) ( 1 ) = 442.5969532343207
d3g/dm3 ( 2 ) ( 1 ) ( 2 ) = -60.455339751644146
d3g/dm3 ( 2 ) ( 1 ) ( 3 ) = 254.61064105072796
d3g/dm3 ( 2 ) ( 1 ) ( 4 ) = 464.15322653668466
d3g/dm3 ( 2 ) ( 1 ) ( 5 ) = 124.92431338399336
d3g/dm3 ( 2 ) ( 1 ) ( 6 ) = -4.90652726410849
d3g/dm3 ( 2 ) ( 2 ) ( 0 ) = -110.58815255726262
d3g/dm3 ( 2 ) ( 2 ) ( 1 ) = 101.73354662920016
d3g/dm3 ( 2 ) ( 2 ) ( 2 ) = -256.46501627844964
d3g/dm3 ( 2 ) ( 2 ) ( 3 ) = -95.31491702534586
d3g/dm3 ( 2 ) ( 2 ) ( 4 ) = -155.1506035906118
d3g/dm3 ( 2 ) ( 2 ) ( 5 ) = -43.412918013079604
d3g/dm3 ( 2 ) ( 2 ) ( 6 ) = -13.678765434634236
d3g/dm3 ( 2 ) ( 3 ) ( 0 ) = 167.61538971859648
d3g/dm3 ( 2 ) ( 3 ) ( 1 ) = -65.40127235080325
d3g/dm3 ( 2 ) ( 3 ) ( 2 ) = 62.78370585412148
d3g/dm3 ( 2 ) ( 3 ) ( 3 ) = 248.94344348687147
d3g/dm3 ( 2 ) ( 3 ) ( 4 ) = 324.75016727121556
d3g/dm3 ( 2 ) ( 3 ) ( 5 ) = 224.06232499161675
d3g/dm3 ( 2 ) ( 3 ) ( 6 ) = 210.19502607655667
d3g/dm3 ( 2 ) ( 4 ) ( 0 ) = 263.10961480748244
d3g/dm3 ( 2 ) ( 4 ) ( 1 ) = 13.144198129056718
d3g/dm3 ( 2 ) ( 4 ) ( 2 ) = 45.89789306134633
d3g/dm3 ( 2 ) ( 4 ) ( 3 ) = 367.7000410437063
d3g/dm3 ( 2 ) ( 4 ) ( 4 ) = 484.158601968835
d3g/dm3 ( 2 ) ( 4 ) ( 5 ) = 329.22390408240983
d3g/dm3 ( 2 ) ( 4 ) ( 6 ) = 265.8672419394313
d3g/dm3 ( 2 ) ( 5 ) ( 0 ) = 120.47755700895874
d3g/dm3 ( 2 ) ( 5 ) ( 1 ) = -137.62370273276946
d3g/dm3 ( 2 ) ( 5 ) ( 2 ) = 95.84508280580798
d3g/dm3 ( 2 ) ( 5 ) ( 3 ) = 205.22170293103696
d3g/dm3 ( 2 ) ( 5 ) ( 4 ) = 267.4334082493392
d3g/dm3 ( 2 ) ( 5 ) ( 5 ) = 194.52065983676627
d3g/dm3 ( 2 ) ( 5 ) ( 6 ) = 154.63238457639204
d3g/dm3 ( 2 ) ( 6 ) ( 0 ) = 89.18516790991765
d3g/dm3 ( 2 ) ( 6 ) ( 1 ) = -195.43980298840142
d3g/dm3 ( 2 ) ( 6 ) ( 2 ) = 101.96784509164031
d3g/dm3 ( 2 ) ( 6 ) ( 3 ) = 167.74301372336387
d3g/dm3 ( 2 ) ( 6 ) ( 4 ) = 180.4653558137479
d3g/dm3 ( 2 ) ( 6 ) ( 5 ) = 131.0209942837789
d3g/dm3 ( 2 ) ( 6 ) ( 6 ) = 93.35866218052266
d3g/dm3 ( 3 ) ( 0 ) ( 0 ) = 55.78920067831597
d3g/dm3 ( 3 ) ( 0 ) ( 1 ) = -8.041065459832481
d3g/dm3 ( 3 ) ( 0 ) ( 2 ) = -14.779774876809526
d3g/dm3 ( 3 ) ( 0 ) ( 3 ) = 105.32514451958218
d3g/dm3 ( 3 ) ( 0 ) ( 4 ) = 157.86949583597743
d3g/dm3 ( 3 ) ( 0 ) ( 5 ) = 77.02793387052434
d3g/dm3 ( 3 ) ( 0 ) ( 6 ) = 69.34693506409621
d3g/dm3 ( 3 ) ( 1 ) ( 0 ) = 121.98560008470508
d3g/dm3 ( 3 ) ( 1 ) ( 1 ) = 442.5969532343207
d3g/dm3 ( 3 ) ( 1 ) ( 2 ) = -60.455339751644146
d3g/dm3 ( 3 ) ( 1 ) ( 3 ) = 254.61064105072796
d3g/dm3 ( 3 ) ( 1 ) ( 4 ) = 464.15322653668466
d3g/dm3 ( 3 ) ( 1 ) ( 5 ) = 124.92431338399336
d3g/dm3 ( 3 ) ( 1 ) ( 6 ) = -4.90652726410849
d3g/dm3 ( 3 ) ( 2 ) ( 0 ) = -110.58815255726262
d3g/dm3 ( 3 ) ( 2 ) ( 1 ) = 101.73354662920016
d3g/dm3 ( 3 ) ( 2 ) ( 2 ) = -256.46501627844964
d3g/dm3 ( 3 ) ( 2 ) ( 3 ) = -95.31491702534586
d3g/dm3 ( 3 ) ( 2 ) ( 4 ) = -155.1506035906118
d3g/dm3 ( 3 ) ( 2 ) ( 5 ) = -43.412918013079604
d3g/dm3 ( 3 ) ( 2 ) ( 6 ) = -13.678765434634236
d3g/dm3 ( 3 ) ( 3 ) ( 0 ) = 167.61538971859648
d3g/dm3 ( 3 ) ( 3 ) ( 1 ) = -65.40127235080325
d3g/dm3 ( 3 ) ( 3 ) ( 2 ) = 62.78370585412148
d3g/dm3 ( 3 ) ( 3 ) ( 3 ) = 248.94344348687147
d3g/dm3 ( 3 ) ( 3 ) ( 4 ) = 324.75016727121556
d3g/dm3 ( 3 ) ( 3 ) ( 5 ) = 224.06232499161675
d3g/dm3 ( 3 ) ( 3 ) ( 6 ) = 210.19502607655667
d3g/dm3 ( 3 ) ( 4 ) ( 0 ) = 263.10961480748244
d3g/dm3 ( 3 ) ( 4 ) ( 1 ) = 13.144198129056718
d3g/dm3 ( 3 ) ( 4 ) ( 2 ) = 45.89789306134633
d3g/dm3 ( 3 ) ( 4 ) ( 3 ) = 367.7000410437063
d3g/dm3 ( 3 ) ( 4 ) ( 4 ) = 484.158601968835
d3g/dm3 ( 3 ) ( 4 ) ( 5 ) = 329.22390408240983
d3g/dm3 ( 3 ) ( 4 ) ( 6 ) = 265.8672419394313
d3g/dm3 ( 3 ) ( 5 ) ( 0 ) = 120.47755700895874
d3g/dm3 ( 3 ) ( 5 ) ( 1 ) = -137.62370273276946
d3g/dm3 ( 3 ) ( 5 ) ( 2 ) = 95.84508280580798
d3g/dm3 ( 3 ) ( 5 ) ( 3 ) = 205.22170293103696
d3g/dm3 ( 3 ) ( 5 ) ( 4 ) = 267.4334082493392
d3g/dm3 ( 3 ) ( 5 ) ( 5 ) = 194.52065983676627
d3g/dm3 ( 3 ) ( 5 ) ( 6 ) = 154.63238457639204
d3g/dm3 ( 3 ) ( 6 ) ( 0 ) = 89.18516790991765
d3g/dm3 ( 3 ) ( 6 ) ( 1 ) = -195.43980298840142
d3g/dm3 ( 3 ) ( 6 ) ( 2 ) = 101.96784509164031
d3g/dm3 ( 3 ) ( 6 ) ( 3 ) = 167.74301372336387
d3g/dm3 ( 3 ) ( 6 ) ( 4 ) = 180.4653558137479
d3g/dm3 ( 3 ) ( 6 ) ( 5 ) = 131.0209942837789
d3g/dm3 ( 3 ) ( 6 ) ( 6 ) = 93.35866218052266
d3g/dm3 ( 4 ) ( 0 ) ( 0 ) = 55.78920067831597
d3g/dm3 ( 4 ) ( 0 ) ( 1 ) = -8.041065459832481
d3g/dm3 ( 4 ) ( 0 ) ( 2 ) = -14.779774876809526
d3g/dm3 ( 4 ) ( 0 ) ( 3 ) = 105.32514451958218
d3g/dm3 ( 4 ) ( 0 ) ( 4 ) = 157.86949583597743
d3g/dm3 ( 4 ) ( 0 ) ( 5 ) = 77.02793387052434
d3g/dm3 ( 4 ) ( 0 ) ( 6 ) = 69.34693506409621
d3g/dm3 ( 4 ) ( 1 ) ( 0 ) = 121.98560008470508
d3g/dm3 ( 4 ) ( 1 ) ( 1 ) = 442.5969532343207
d3g/dm3 ( 4 ) ( 1 ) ( 2 ) = -60.455339751644146
d3g/dm3 ( 4 ) ( 1 ) ( 3 ) = 254.61064105072796
d3g/dm3 ( 4 ) ( 1 ) ( 4 ) = 464.15322653668466
d3g/dm3 ( 4 ) ( 1 ) ( 5 ) = 124.92431338399336
d3g/dm3 ( 4 ) ( 1 ) ( 6 ) = -4.90652726410849
d3g/dm3 ( 4 ) ( 2 ) ( 0 ) = -110.58815255726262
d3g/dm3 ( 4 ) ( 2 ) ( 1 ) = 101.73354662920016
d3g/dm3 ( 4 ) ( 2 ) ( 2 ) = -256.46501627844964
d3g/dm3 ( 4 ) ( 2 ) ( 3 ) = -95.31491702534586
d3g/dm3 ( 4 ) ( 2 ) ( 4 ) = -155.1506035906118
d3g/dm3 ( 4 ) ( 2 ) ( 5 ) = -43.412918013079604
d3g/dm3 ( 4 ) ( 2 ) ( 6 ) = -13.678765434634236
d3g/dm3 ( 4 ) ( 3 ) ( 0 ) = 167.61538971859648
d3g/dm3 ( 4 ) ( 3 ) ( 1 ) = -65.40127235080325
d3g/dm3 ( 4 ) ( 3 ) ( 2 ) = 62.78370585412148
d3g/dm3 ( 4 ) ( 3 ) ( 3 ) = 248.94344348687147
d3g/dm3 ( 4 ) ( 3 ) ( 4 ) = 324.75016727121556
d3g/dm3 ( 4 ) ( 3 ) ( 5 ) = 224.06232499161675
d3g/dm3 ( 4 ) ( 3 ) ( 6 ) = 210.19502607655667
d3g/dm3 ( 4 ) ( 4 ) ( 0 ) = 263.10961480748244
d3g/dm3 ( 4 ) ( 4 ) ( 1 ) = 13.144198129056718
d3g/dm3 ( 4 ) ( 4 ) ( 2 ) = 45.89789306134633
d3g/dm3 ( 4 ) ( 4 ) ( 3 ) = 367.7000410437063
d3g/dm3 ( 4 ) ( 4 ) ( 4 ) = 484.158601968835
d3g/dm3 ( 4 ) ( 4 ) ( 5 ) = 329.22390408240983
d3g/dm3 ( 4 ) ( 4 ) ( 6 ) = 265.8672419394313
d3g/dm3 ( 4 ) ( 5 ) ( 0 ) = 120.47755700895874
d3g/dm3 ( 4 ) ( 5 ) ( 1 ) = -137.62370273276946
d3g/dm3 ( 4 ) ( 5 ) ( 2 ) = 95.84508280580798
d3g/dm3 ( 4 ) ( 5 ) ( 3 ) = 205.22170293103696
d3g/dm3 ( 4 ) ( 5 ) ( 4 ) = 267.4334082493392
d3g/dm3 ( 4 ) ( 5 ) ( 5 ) = 194.52065983676627
d3g/dm3 ( 4 ) ( 5 ) ( 6 ) = 154.63238457639204
d3g/dm3 ( 4 ) ( 6 ) ( 0 ) = 89.18516790991765
d3g/dm3 ( 4 ) ( 6 ) ( 1 ) = -195.43980298840142
d3g/dm3 ( 4 ) ( 6 ) ( 2 ) = 101.96784509164031
d3g/dm3 ( 4 ) ( 6 ) ( 3 ) = 167.74301372336387
d3g/dm3 ( 4 ) ( 6 ) ( 4 ) = 180.4653558137479
d3g/dm3 ( 4 ) ( 6 ) ( 5 ) = 131.0209942837789
d3g/dm3 ( 4 ) ( 6 ) ( 6 ) = 93.35866218052266
d3g/dm3 ( 5 ) ( 0 ) ( 0 ) = 55.78920067831597
d3g/dm3 ( 5 ) ( 0 ) ( 1 ) = -8.041065459832481
d3g/dm3 ( 5 ) ( 0 ) ( 2 ) = -14.779774876809526
d3g/dm3 ( 5 ) ( 0 ) ( 3 ) = 105.32514451958218
d3g/dm3 ( 5 ) ( 0 ) ( 4 ) = 157.86949583597743
d3g/dm3 ( 5 ) ( 0 ) ( 5 ) = 77.02793387052434
d3g/dm3 ( 5 ) ( 0 ) ( 6 ) = 69.34693506409621
d3g/dm3 ( 5 ) ( 1 ) ( 0 ) = 121.98560008470508
d3g/dm3 ( 5 ) ( 1 ) ( 1 ) = 442.5969532343207
d3g/dm3 ( 5 ) ( 1 ) ( 2 ) = -60.455339751644146
d3g/dm3 ( 5 ) ( 1 ) ( 3 ) = 254.61064105072796
d3g/dm3 ( 5 ) ( 1 ) ( 4 ) = 464.15322653668466
d3g/dm3 ( 5 ) ( 1 ) ( 5 ) = 124.92431338399336
d3g/dm3 ( 5 ) ( 1 ) ( 6 ) = -4.90652726410849
d3g/dm3 ( 5 ) ( 2 ) ( 0 ) = -110.58815255726262
d3g/dm3 ( 5 ) ( 2 ) ( 1 ) = 101.73354662920016
d3g/dm3 ( 5 ) ( 2 ) ( 2 ) = -256.46501627844964
d3g/dm3 ( 5 ) ( 2 ) ( 3 ) = -95.31491702534586
d3g/dm3 ( 5 ) ( 2 ) ( 4 ) = -155.1506035906118
d3g/dm3 ( 5 ) ( 2 ) ( 5 ) = -43.412918013079604
d3g/dm3 ( 5 ) ( 2 ) ( 6 ) = -13.678765434634236
d3g/dm3 ( 5 ) ( 3 ) ( 0 ) = 167.61538971859648
d3g/dm3 ( 5 ) ( 3 ) ( 1 ) = -65.40127235080325
d3g/dm3 ( 5 ) ( 3 ) ( 2 ) = 62.78370585412148
d3g/dm3 ( 5 ) ( 3 ) ( 3 ) = 248.94344348687147
d3g/dm3 ( 5 ) ( 3 ) ( 4 ) = 324.75016727121556
d3g/dm3 ( 5 ) ( 3 ) ( 5 ) = 224.06232499161675
d3g/dm3 ( 5 ) ( 3 ) ( 6 ) = 210.19502607655667
d3g/dm3 ( 5 ) ( 4 ) ( 0 ) = 263.10961480748244
d3g/dm3 ( 5 ) ( 4 ) ( 1 ) = 13.144198129056718
d3g/dm3 ( 5 ) ( 4 ) ( 2 ) = 45.89789306134633
d3g/dm3 ( 5 ) ( 4 ) ( 3 ) = 367.7000410437063
d3g/dm3 ( 5 ) ( 4 ) ( 4 ) = 484.158601968835
d3g/dm3 ( 5 ) ( 4 ) ( 5 ) = 329.22390408240983
d3g/dm3 ( 5 ) ( 4 ) ( 6 ) = 265.8672419394313
d3g/dm3 ( 5 ) ( 5 ) ( 0 ) = 120.47755700895874
d3g/dm3 ( 5 ) ( 5 ) ( 1 ) = -137.62370273276946
d3g/dm3 ( 5 ) ( 5 ) ( 2 ) = 95.84508280580798
d3g/dm3 ( 5 ) ( 5 ) ( 3 ) = 205.22170293103696
d3g/dm3 ( 5 ) ( 5 ) ( 4 ) = 267.4334082493392
d3g/dm3 ( 5 ) ( 5 ) ( 5 ) = 194.52065983676627
d3g/dm3 ( 5 ) ( 5 ) ( 6 ) = 154.63238457639204
d3g/dm3 ( 5 ) ( 6 ) ( 0 ) = 89.18516790991765
d3g/dm3 ( 5 ) ( 6 ) ( 1 ) = -195.43980298840142
d3g/dm3 ( 5 ) ( 6 ) ( 2 ) = 101.96784509164031
d3g/dm3 ( 5 ) ( 6 ) ( 3 ) = 167.74301372336387
d3g/dm3 ( 5 ) ( 6 ) ( 4 ) = 180.4653558137479
d3g/dm3 ( 5 ) ( 6 ) ( 5 ) = 131.0209942837789
d3g/dm3 ( 5 ) ( 6 ) ( 6 ) = 93.35866218052266
d3g/dm3 ( 6 ) ( 0 ) ( 0 ) = 55.78920067831597
d3g/dm3 ( 6 ) ( 0 ) ( 1 ) = -8.041065459832481
d3g/dm3 ( 6 ) ( 0 ) ( 2 ) = -14.779774876809526
d3g/dm3 ( 6 ) ( 0 ) ( 3 ) = 105.32514451958218
d3g/dm3 ( 6 ) ( 0 ) ( 4 ) = 157.86949583597743
d3g/dm3 ( 6 ) ( 0 ) ( 5 ) = 77.02793387052434
d3g/dm3 ( 6 ) ( 0 ) ( 6 ) = 69.34693506409621
d3g/dm3 ( 6 ) ( 1 ) ( 0 ) = 121.98560008470508
d3g/dm3 ( 6 ) ( 1 ) ( 1 ) = 442.5969532343207
d3g/dm3 ( 6 ) ( 1 ) ( 2 ) = -60.455339751644146
d3g/dm3 ( 6 ) ( 1 ) ( 3 ) = 254.61064105072796
d3g/dm3 ( 6 ) ( 1 ) ( 4 ) = 464.15322653668466
d3g/dm3 ( 6 ) ( 1 ) ( 5 ) = 124.92431338399336
d3g/dm3 ( 6 ) ( 1 ) ( 6 ) = -4.90652726410849
d3g/dm3 ( 6 ) ( 2 ) ( 0 ) = -110.58815255726262
d3g/dm3 ( 6 ) ( 2 ) ( 1 ) = 101.73354662920016
d3g/dm3 ( 6 ) ( 2 ) ( 2 ) = -256.46501627844964
d3g/dm3 ( 6 ) ( 2 ) ( 3 ) = -95.31491702534586
d3g/dm3 ( 6 ) ( 2 ) ( 4 ) = -155.1506035906118
d3g/dm3 ( 6 ) ( 2 ) ( 5 ) = -43.412918013079604
d3g/dm3 ( 6 ) ( 2 ) ( 6 ) = -13.678765434634236
d3g/dm3 ( 6 ) ( 3 ) ( 0 ) = 167.61538971859648
d3g/dm3 ( 6 ) ( 3 ) ( 1 ) = -65.40127235080325
d3g/dm3 ( 6 ) ( 3 ) ( 2 ) = 62.78370585412148
d3g/dm3 ( 6 ) ( 3 ) ( 3 ) = 248.94344348687147
d3g/dm3 ( 6 ) ( 3 ) ( 4 ) = 324.75016727121556
d3g/dm3 ( 6 ) ( 3 ) ( 5 ) = 224.06232499161675
d3g/dm3 ( 6 ) ( 3 ) ( 6 ) = 210.19502607655667
d3g/dm3 ( 6 ) ( 4 ) ( 0 ) = 263.10961480748244
d3g/dm3 ( 6 ) ( 4 ) ( 1 ) = 13.144198129056718
d3g/dm3 ( 6 ) ( 4 ) ( 2 ) = 45.89789306134633
d3g/dm3 ( 6 ) ( 4 ) ( 3 ) = 367.7000410437063
d3g/dm3 ( 6 ) ( 4 ) ( 4 ) = 484.158601968835
d3g/dm3 ( 6 ) ( 4 ) ( 5 ) = 329.22390408240983
d3g/dm3 ( 6 ) ( 4 ) ( 6 ) = 265.8672419394313
d3g/dm3 ( 6 ) ( 5 ) ( 0 ) = 120.47755700895874
d3g/dm3 ( 6 ) ( 5 ) ( 1 ) = -137.62370273276946
d3g/dm3 ( 6 ) ( 5 ) ( 2 ) = 95.84508280580798
d3g/dm3 ( 6 ) ( 5 ) ( 3 ) = 205.22170293103696
d3g/dm3 ( 6 ) ( 5 ) ( 4 ) = 267.4334082493392
d3g/dm3 ( 6 ) ( 5 ) ( 5 ) = 194.52065983676627
d3g/dm3 ( 6 ) ( 5 ) ( 6 ) = 154.63238457639204
d3g/dm3 ( 6 ) ( 6 ) ( 0 ) = 89.18516790991765
d3g/dm3 ( 6 ) ( 6 ) ( 1 ) = -195.43980298840142
d3g/dm3 ( 6 ) ( 6 ) ( 2 ) = 101.96784509164031
d3g/dm3 ( 6 ) ( 6 ) ( 3 ) = 167.74301372336387
d3g/dm3 ( 6 ) ( 6 ) ( 4 ) = 180.4653558137479
d3g/dm3 ( 6 ) ( 6 ) ( 5 ) = 131.0209942837789
d3g/dm3 ( 6 ) ( 6 ) ( 6 ) = 93.35866218052266
Molar derivatives of activities:¶
➜ Moles of components, T (K), P (bars) => d(activities of endmember components)/d(Moles of components)
(DoubleMatrix *)getDaDmFromMolesOfComponents:(double *)m andT:(double)t andP:(double)p
dadm = obj.getDaDmFromMolesOfComponents_andT_andP_(m, t, p)
for i in range (0, nc):
for j in range (0, nc):
print ('da/dm (', i, ') (', j, ') = ', dadm.valueAtRowIndex_andColIndex_(i, j))
da/dm ( 0 ) ( 0 ) = 0.03774009729789971
da/dm ( 0 ) ( 1 ) = 0.06173127101568136
da/dm ( 0 ) ( 2 ) = -0.01415302343164224
da/dm ( 0 ) ( 3 ) = -0.06244531531314135
da/dm ( 0 ) ( 4 ) = -0.04001082577350318
da/dm ( 0 ) ( 5 ) = -0.03203949235646955
da/dm ( 0 ) ( 6 ) = -0.06446876054224095
da/dm ( 1 ) ( 0 ) = 0.04160232164400971
da/dm ( 1 ) ( 1 ) = 0.18016555983588442
da/dm ( 1 ) ( 2 ) = -0.13180404909531004
da/dm ( 1 ) ( 3 ) = 0.06408838391469956
da/dm ( 1 ) ( 4 ) = 0.14126616606088868
da/dm ( 1 ) ( 5 ) = 0.05735671026660135
da/dm ( 1 ) ( 6 ) = 0.0013855032080308596
da/dm ( 2 ) ( 0 ) = -0.005394254142888497
da/dm ( 2 ) ( 1 ) = -0.07454157794059005
da/dm ( 2 ) ( 2 ) = 0.07447943879467711
da/dm ( 2 ) ( 3 ) = -0.03895673341101451
da/dm ( 2 ) ( 4 ) = -0.0604634009732974
da/dm ( 2 ) ( 5 ) = -0.05436958322922292
da/dm ( 2 ) ( 6 ) = -0.026021621975631005
da/dm ( 3 ) ( 0 ) = -0.09490273333261592
da/dm ( 3 ) ( 1 ) = 0.1445259490546316
da/dm ( 3 ) ( 2 ) = -0.15533853797102762
da/dm ( 3 ) ( 3 ) = 1.5713752554474445
da/dm ( 3 ) ( 4 ) = 1.2703857427864635
da/dm ( 3 ) ( 5 ) = -0.284149598928495
da/dm ( 3 ) ( 6 ) = -0.07177105982487131
da/dm ( 4 ) ( 0 ) = -0.0010435320507429205
da/dm ( 4 ) ( 1 ) = 0.0054670631173746815
da/dm ( 4 ) ( 2 ) = -0.004137506332308416
da/dm ( 4 ) ( 3 ) = 0.021801432507985698
da/dm ( 4 ) ( 4 ) = 0.16199428887957767
da/dm ( 4 ) ( 5 ) = 0.1310828503058563
da/dm ( 4 ) ( 6 ) = -0.00620727766761529
da/dm ( 5 ) ( 0 ) = -0.002458590939767461
da/dm ( 5 ) ( 1 ) = 0.006530892514270619
da/dm ( 5 ) ( 2 ) = -0.010946479707441815
da/dm ( 5 ) ( 3 ) = -0.014347255745713168
da/dm ( 5 ) ( 4 ) = 0.3856721235302447
da/dm ( 5 ) ( 5 ) = 0.3995169503835242
da/dm ( 5 ) ( 6 ) = -0.028385682590988632
da/dm ( 6 ) ( 0 ) = -0.004807509619407412
da/dm ( 6 ) ( 1 ) = 0.00015330842730217542
da/dm ( 6 ) ( 2 ) = -0.005091233628486803
da/dm ( 6 ) ( 3 ) = -0.0035216106825038686
da/dm ( 6 ) ( 4 ) = -0.017747767737367574
da/dm ( 6 ) ( 5 ) = -0.027584780526260674
da/dm ( 6 ) ( 6 ) = 0.08120720870441273
Enthalpy, Entropy, and molar derivatives:¶
➜ Moles of components, T (K), P (bars) => enthalpy (J)
(double)getEnthalpyFromMolesOfComponents:(double *)m andT:(double)t andP:(double)p
➜ Moles of components, T (K), P (bars) => entropy (J/K)
(double)getEntropyFromMolesOfComponents:(double *)m andT:(double)t andP:(double)p
➜ Moles of components, T (K), P (bars) => d(entropy)/d(Moles of components) (J/K)
(DoubleVector *)getDsDmFromMolesOfComponents:(double *)m andT:(double)t andP:(double)p
➜ Moles of components, T (K), P (bars) => d^2(entropy)/d(Moles of components)^2 (J/K)
(DoubleMatrix *)getD2sDm2FromMolesOfComponents:(double *)m andT:(double)t andP:(double)p
print ('Enthalpy (J) = ', obj.getEnthalpyFromMolesOfComponents_andT_andP_(m, t, p))
print ('Entropy (J/K) = ', obj.getEntropyFromMolesOfComponents_andT_andP_(m, t, p))
print ("")
dsdm = obj.getDsDmFromMolesOfComponents_andT_andP_(m, t, p)
for i in range (0, nc):
print ('ds/dm (', i, ') = ', dsdm.valueAtIndex_(i))
print ("")
d2sdm2 = obj.getD2sDm2FromMolesOfComponents_andT_andP_(m, t, p)
for i in range (0, nc):
for j in range (0, nc):
print ('d2s/dm2 (', i, ') (', j, ') = ', d2sdm2.valueAtRowIndex_andColIndex_(i, j))
Enthalpy (J) = -23301155.288087707
Entropy (J/K) = 3464.1364096335037
ds/dm ( 0 ) = 410.0507455804627
ds/dm ( 1 ) = 412.5313344657526
ds/dm ( 2 ) = 450.39944723645357
ds/dm ( 3 ) = 432.12104337722974
ds/dm ( 4 ) = 510.7162366847344
ds/dm ( 5 ) = 492.1167130045531
ds/dm ( 6 ) = 409.2215956602216
d2s/dm2 ( 0 ) ( 0 ) = -1.139460183279871
d2s/dm2 ( 0 ) ( 1 ) = -0.7132633761330777
d2s/dm2 ( 0 ) ( 2 ) = 0.34822106132360464
d2s/dm2 ( 0 ) ( 3 ) = -0.09353835618269568
d2s/dm2 ( 0 ) ( 4 ) = -0.1181719409433798
d2s/dm2 ( 0 ) ( 5 ) = 0.6935404961682898
d2s/dm2 ( 0 ) ( 6 ) = 1.0741021359745244
d2s/dm2 ( 1 ) ( 0 ) = -0.7132633761330776
d2s/dm2 ( 1 ) ( 1 ) = -3.9505233145892458
d2s/dm2 ( 1 ) ( 2 ) = 1.8295535654490198
d2s/dm2 ( 1 ) ( 3 ) = 1.3090103211277588
d2s/dm2 ( 1 ) ( 4 ) = 2.090402979359636
d2s/dm2 ( 1 ) ( 5 ) = 2.431871612273436
d2s/dm2 ( 1 ) ( 6 ) = 0.9500748865151925
d2s/dm2 ( 2 ) ( 0 ) = 0.34822106132360486
d2s/dm2 ( 2 ) ( 1 ) = 1.8295535654490198
d2s/dm2 ( 2 ) ( 2 ) = -1.9390778040162355
d2s/dm2 ( 2 ) ( 3 ) = 0.4640610956454114
d2s/dm2 ( 2 ) ( 4 ) = 0.17422867581520995
d2s/dm2 ( 2 ) ( 5 ) = 0.5798359198817742
d2s/dm2 ( 2 ) ( 6 ) = 1.0570811341684845
d2s/dm2 ( 3 ) ( 0 ) = -0.09353835618269367
d2s/dm2 ( 3 ) ( 1 ) = 1.3090103211277602
d2s/dm2 ( 3 ) ( 2 ) = 0.4640610956454124
d2s/dm2 ( 3 ) ( 3 ) = -21.625910274128053
d2s/dm2 ( 3 ) ( 4 ) = -20.415841356800787
d2s/dm2 ( 3 ) ( 5 ) = 0.5399382856524635
d2s/dm2 ( 3 ) ( 6 ) = 2.4513849488571307
d2s/dm2 ( 4 ) ( 0 ) = -0.11817194094338022
d2s/dm2 ( 4 ) ( 1 ) = 2.0904029793596353
d2s/dm2 ( 4 ) ( 2 ) = 0.1742286758152095
d2s/dm2 ( 4 ) ( 3 ) = -20.415841356800783
d2s/dm2 ( 4 ) ( 4 ) = -105.09799765973003
d2s/dm2 ( 4 ) ( 5 ) = -80.79579774539434
d2s/dm2 ( 4 ) ( 6 ) = 5.050323751765411
d2s/dm2 ( 5 ) ( 0 ) = 0.6935404961682854
d2s/dm2 ( 5 ) ( 1 ) = 2.4318716122734316
d2s/dm2 ( 5 ) ( 2 ) = 0.5798359198817701
d2s/dm2 ( 5 ) ( 3 ) = 0.5399382856524583
d2s/dm2 ( 5 ) ( 4 ) = -80.79579774539437
d2s/dm2 ( 5 ) ( 5 ) = -82.01275177725545
d2s/dm2 ( 5 ) ( 6 ) = 3.353233020611556
d2s/dm2 ( 6 ) ( 0 ) = 1.0741021359745242
d2s/dm2 ( 6 ) ( 1 ) = 0.950074886515192
d2s/dm2 ( 6 ) ( 2 ) = 1.0570811341684845
d2s/dm2 ( 6 ) ( 3 ) = 2.4513849488571324
d2s/dm2 ( 6 ) ( 4 ) = 5.050323751765407
d2s/dm2 ( 6 ) ( 5 ) = 3.3532330206115497
d2s/dm2 ( 6 ) ( 6 ) = -15.903356172714398
Heat capacity and its derivatives:¶
➜ Moles of components, T (K), P (bars) => isobaric heat capacity (J/K)
(double)getHeatCapacityFromMolesOfComponents:(double *)m andT:(double)t andP:(double)p
➜ Moles of components, T (K), P (bars) => d(isobaric heat capacity)/dT (J/K^2)
(double)getDcpDtFromMolesOfComponents:(double *)m andT:(double)t andP:(double)p
➜ Moles of components, T (K), P (bars) => d(isobaric heat capacity)/d(Moles of components) (J/K)
(DoubleVector *)getDCpDmFromMolesOfComponents:(double *)m andT:(double)t andP:(double)p
print ('Heat capacity (J/K) = ', obj.getHeatCapacityFromMolesOfComponents_andT_andP_(m, t, p))
print ('dcpdt (J/K^2) = ', obj.getDcpDtFromMolesOfComponents_andT_andP_(m, t, p))
print ("")
dcpdm = obj.getDCpDmFromMolesOfComponents_andT_andP_(m, t, p)
for i in range (0, nc):
print ('dcp/dm (', i, ') = ', dcpdm.valueAtIndex_(i))
Heat capacity (J/K) = 2025.399710653537
dcpdt (J/K^2) = 0.2917833486953511
dcp/dm ( 0 ) = 249.43464059836083
dcp/dm ( 1 ) = 257.2017126736729
dcp/dm ( 2 ) = 250.41000411248376
dcp/dm ( 3 ) = 248.12793496076208
dcp/dm ( 4 ) = 253.36431868719188
dcp/dm ( 5 ) = 247.0084370131884
dcp/dm ( 6 ) = 243.40306480824367
Volume and its derivatives:¶
➜ Moles of components, T (K), P (bars) => volume (J/bar)
(double)getVolumeFromMolesOfComponents:(double *)m andT:(double)t andP:(double)p
➜ Moles of components, T (K), P (bars) => d(volume)/d(Moles of components) (J/bar)
(DoubleVector *)getDvDmFromMolesOfComponents:(double *)m andT:(double)t andP:(double)p
➜ Moles of components, T (K), P (bars) => d^2(volume)/d(Moles of components)^2 (J/bar)
(DoubleMatrix *)getD2vDm2FromMolesOfComponents:(double *)m andT:(double)t andP:(double)p
➜ Moles of components, T (K), P (bars) => d(volume)/dT (J/bar-K)
(double)getDvDtFromMolesOfComponents:(double *)m andT:(double)t andP:(double)p
➜ Moles of components, T (K), P (bars) => d(volume)/dP (J/bar^2)
(double)getDvDpFromMolesOfComponents:(double *)m andT:(double)t andP:(double)p
➜ Moles of components, T (K), P (bars) => d2(volume)/dT^2 (J/bar-K^2)
(double)getD2vDt2FromMolesOfComponents:(double *)m andT:(double)t andP:(double)p
➜ Moles of components, T (K), P (bars) => d2(volume)/dTdP (J/bar^2-K)
(double)getD2vDtDpFromMolesOfComponents:(double *)m andT:(double)t andP:(double)p
➜ Moles of components, T (K), P (bars) => d2(volume)/dP^2 (J/bar^3)
(double)getD2vDp2FromMolesOfComponents:(double *)m andT:(double)t andP:(double)p
➜ Moles of components, T (K), P (bars) => d2(volume)/d(Moles of components)dT (J/bar-K)
(DoubleVector *)getD2vDmDtFromMolesOfComponents:(double *)m andT:(double)t andP:(double)p
➜ Moles of components, T (K), P (bars) => d2(volume)/d(Moles of components)dP (J/bar^2)
(DoubleVector *)getD2vDmDpFromMolesOfComponents:(double *)m andT:(double)t andP:(double)p
print ('{0:<10s}{1:13.6f} {2:<15s}'.format('Volume', obj.getVolumeFromMolesOfComponents_andT_andP_(m, t, p), 'J/bar'))
print ('{0:<10s}{1:13.6e} {2:<15s}'.format('dvdt', obj.getDvDtFromMolesOfComponents_andT_andP_(m, t, p), 'J/bar-K'))
print ('{0:<10s}{1:13.6e} {2:<15s}'.format('dvdp', obj.getDvDpFromMolesOfComponents_andT_andP_(m, t, p), 'J/bar^2'))
print ('{0:<10s}{1:13.6e} {2:<15s}'.format('d2vdt2', obj.getD2vDt2FromMolesOfComponents_andT_andP_(m, t, p), 'J/bar-K^2'))
print ('{0:<10s}{1:13.6e} {2:<15s}'.format('d2vdtdp', obj.getD2vDtDpFromMolesOfComponents_andT_andP_(m, t, p), 'J/bar^2-K'))
print ('{0:<10s}{1:13.6e} {2:<15s}'.format('d2vdp2', obj.getD2vDp2FromMolesOfComponents_andT_andP_(m, t, p), 'J/bar^3'))
print ("")
dvdm = obj.getDvDmFromMolesOfComponents_andT_andP_(m, t, p)
for i in range (0, nc):
print ('dv/dm (', i, ') = ', dvdm.valueAtIndex_(i))
print ("")
d2vdm2 = obj.getD2vDm2FromMolesOfComponents_andT_andP_(m, t, p)
for i in range (0, nc):
for j in range (0, nc):
print ('d2v/dm2 (', i, ') (', j, ') = ', d2vdm2.valueAtRowIndex_andColIndex_(i, j))
print ("")
d2vdmdt = obj.getD2vDmDtFromMolesOfComponents_andT_andP_(m, t, p)
for i in range (0, nc):
print ('d2vdmdt (', i, ') = ', d2vdmdt.valueAtIndex_(i))
print ("")
d2vdmdp = obj.getD2vDmDpFromMolesOfComponents_andT_andP_(m, t, p)
for i in range (0, nc):
print ('d2vdmdp (', i, ') = ', d2vdmdp.valueAtIndex_(i))
Volume 53.938741 J/bar
dvdt 1.963440e-03 J/bar-K
dvdp -4.679171e-05 J/bar^2
d2vdt2 7.538216e-07 J/bar-K^2
d2vdtdp -1.306170e-11 J/bar^2-K
d2vdp2 1.516196e-10 J/bar^3
dv/dm ( 0 ) = 6.7755194155226075
dv/dm ( 1 ) = 6.43106968036745
dv/dm ( 2 ) = 6.957252912273878
dv/dm ( 3 ) = 6.4562808603554265
dv/dm ( 4 ) = 6.82793556118577
dv/dm ( 5 ) = 6.827933180819789
dv/dm ( 6 ) = 6.124224794563601
d2v/dm2 ( 0 ) ( 0 ) = -0.0012385807484713918
d2v/dm2 ( 0 ) ( 1 ) = 0.0004735999736928697
d2v/dm2 ( 0 ) ( 2 ) = -0.00046187456982968943
d2v/dm2 ( 0 ) ( 3 ) = 0.0003977407458464053
d2v/dm2 ( 0 ) ( 4 ) = 0.00019906311283538868
d2v/dm2 ( 0 ) ( 5 ) = 0.0006964427331411663
d2v/dm2 ( 0 ) ( 6 ) = 0.0007283112241869619
d2v/dm2 ( 1 ) ( 0 ) = 0.0004735999736928695
d2v/dm2 ( 1 ) ( 1 ) = 0.012007219676400182
d2v/dm2 ( 1 ) ( 2 ) = -0.005254205916742371
d2v/dm2 ( 1 ) ( 3 ) = -0.004077118146881666
d2v/dm2 ( 1 ) ( 4 ) = -0.0041732315599436465
d2v/dm2 ( 1 ) ( 5 ) = -0.0042341585381709575
d2v/dm2 ( 1 ) ( 6 ) = -0.00421424686086206
d2v/dm2 ( 2 ) ( 0 ) = -0.0004618745698296892
d2v/dm2 ( 2 ) ( 1 ) = -0.005254205916742371
d2v/dm2 ( 2 ) ( 2 ) = 0.0029631129403313054
d2v/dm2 ( 2 ) ( 3 ) = 0.0005128950067821089
d2v/dm2 ( 2 ) ( 4 ) = 0.00019067601668224237
d2v/dm2 ( 2 ) ( 5 ) = 0.0007970701832875802
d2v/dm2 ( 2 ) ( 6 ) = 0.0008871712744633012
d2v/dm2 ( 3 ) ( 0 ) = 0.0003977407458464052
d2v/dm2 ( 3 ) ( 1 ) = -0.004077118146881666
d2v/dm2 ( 3 ) ( 2 ) = 0.0005128950067821085
d2v/dm2 ( 3 ) ( 3 ) = 0.0026970640393349414
d2v/dm2 ( 3 ) ( 4 ) = 0.0026257011833396363
d2v/dm2 ( 3 ) ( 5 ) = 0.0029320856175640408
d2v/dm2 ( 3 ) ( 6 ) = 0.0029614122846401123
d2v/dm2 ( 4 ) ( 0 ) = 0.00019906311283538858
d2v/dm2 ( 4 ) ( 1 ) = -0.004173231559943646
d2v/dm2 ( 4 ) ( 2 ) = 0.00019067601668224204
d2v/dm2 ( 4 ) ( 3 ) = 0.0026257011833396363
d2v/dm2 ( 4 ) ( 4 ) = 0.0017935901374497658
d2v/dm2 ( 4 ) ( 5 ) = 0.003121134146018646
d2v/dm2 ( 4 ) ( 6 ) = 0.0031977991125086195
d2v/dm2 ( 5 ) ( 0 ) = 0.0006964427331411663
d2v/dm2 ( 5 ) ( 1 ) = -0.004234158538170956
d2v/dm2 ( 5 ) ( 2 ) = 0.0007970701832875798
d2v/dm2 ( 5 ) ( 3 ) = 0.00293208561756404
d2v/dm2 ( 5 ) ( 4 ) = 0.003121134146018647
d2v/dm2 ( 5 ) ( 5 ) = 0.002703269445002389
d2v/dm2 ( 5 ) ( 6 ) = 0.0025108650676256786
d2v/dm2 ( 6 ) ( 0 ) = 0.0007283112241869621
d2v/dm2 ( 6 ) ( 1 ) = -0.00421424686086206
d2v/dm2 ( 6 ) ( 2 ) = 0.0008871712744633012
d2v/dm2 ( 6 ) ( 3 ) = 0.002961412284640112
d2v/dm2 ( 6 ) ( 4 ) = 0.00319779911250862
d2v/dm2 ( 6 ) ( 5 ) = 0.002510865067625679
d2v/dm2 ( 6 ) ( 6 ) = 0.0024769559975446774
d2vdmdt ( 0 ) = 0.00025991217886138084
d2vdmdt ( 1 ) = 0.0002211892459485272
d2vdmdt ( 2 ) = 0.0002906842482211079
d2vdmdt ( 3 ) = 0.0001878798178765582
d2vdmdt ( 4 ) = 0.00019644509560098943
d2vdmdt ( 5 ) = 0.00020073471801652963
d2vdmdt ( 6 ) = 0.00016325409543757537
d2vdmdp ( 0 ) = -5.751021867420583e-06
d2vdmdp ( 1 ) = -4.734136173691597e-06
d2vdmdp ( 2 ) = -6.720436349014606e-06
d2vdmdp ( 3 ) = -5.502950451885919e-06
d2vdmdp ( 4 ) = -5.8222304398726725e-06
d2vdmdp ( 5 ) = -5.8177438204639245e-06
d2vdmdp ( 6 ) = -5.161483887143959e-06
Accessing properties of solution species:¶
➜ Moles of components, T (K), P (bars) => formulae as an NSString object
(NSString *)getFormulaFromMolesOfComponents:(double *)m andT:(double)t andP:(double)p
➜ Retrieves the name of the solution species at the specified index
(NSString *)nameOfSolutionSpeciesAtIndex:(NSUInteger)index
➜ Moles of solution species => moles of endmember components
(DoubleVector *)convertMolesOfSpeciesToMolesOfComponents:(double *)mSpecies
➜ Retrieves an elemental stoichiometry vector for the species at the specified index
(DoubleVector *)elementalCompositionOfSpeciesAtIndex:(NSUInteger)index
➜ Moles of components, T (K), P (bars) => chemical potentials of solution species (J)
(DoubleVector *)chemicalPotentialsOfSpeciesFromMolesOfComponents:(double *)m andT:(double)t andP:(double)p
Note that the first nc species are identical to the solution components.
import numpy as np
print ('formula = ', obj.getFormulaFromMolesOfComponents_andT_andP_(m, t, p))
muSpecies = obj.chemicalPotentialsOfSpeciesFromMolesOfComponents_andT_andP_(m, t, p)
for i in range (0, ns):
print ('species = ', obj.nameOfSolutionSpeciesAtIndex_(i))
elm = obj.elementalCompositionOfSpeciesAtIndex_(i)
for j in range (0, 107):
if elm.valueAtIndex_(j) > 0.0:
print (' element (', j, ') = ', elm.valueAtIndex_(j))
print (' chemical potential = ', muSpecies.valueAtIndex_(i))
mSpecies = (ctypes.c_double*ns)()
ctypes.cast(mSpecies, ctypes.POINTER(ctypes.c_double))
for i in range (0, ns):
mSpecies[i] = np.random.rand()
name = obj.nameOfSolutionSpeciesAtIndex_(i)
print ('Mole fraction of species (', name.ljust(20), ') = ', mSpecies[i])
mSpToComp = obj.convertMolesOfSpeciesToMolesOfComponents_(mSpecies)
for i in range (0, nc):
name = obj.nameOfSolutionSpeciesAtIndex_(i)
print ('moles of component (', name.ljust(20), ') = ', mSpToComp.valueAtIndex_(i))
formula = Na0.06Ca0.69Fe''0.37Mg0.63Fe'''0.01Ti0.01Al0.42Si1.80O6
species = diopside
element ( 8 ) = 6.0
element ( 12 ) = 1.0
element ( 14 ) = 2.0
element ( 20 ) = 1.0
chemical potential = -3445027.629689464
species = clinoenstatite
element ( 8 ) = 6.0
element ( 12 ) = 2.0
element ( 14 ) = 2.0
chemical potential = -3326569.3414830053
species = hedenbergite
element ( 8 ) = 6.0
element ( 14 ) = 2.0
element ( 20 ) = 1.0
element ( 26 ) = 1.0
chemical potential = -3128213.579414352
species = alumino-buffonite
element ( 8 ) = 6.0
element ( 12 ) = 0.5
element ( 13 ) = 1.0
element ( 14 ) = 1.0
element ( 20 ) = 1.0
element ( 22 ) = 0.5
chemical potential = -3528391.327302648
species = buffonite
element ( 8 ) = 6.0
element ( 12 ) = 0.5
element ( 14 ) = 1.0
element ( 20 ) = 1.0
element ( 22 ) = 0.5
element ( 26 ) = 1.0
chemical potential = -3149150.7685068524
species = essenite
element ( 8 ) = 6.0
element ( 13 ) = 1.0
element ( 14 ) = 1.0
element ( 20 ) = 1.0
element ( 26 ) = 1.0
chemical potential = -3174325.0543351285
species = jadeite
element ( 8 ) = 6.0
element ( 11 ) = 1.0
element ( 13 ) = 1.0
element ( 14 ) = 2.0
chemical potential = -3279477.157716875
species = fe-aluminobuffonite
element ( 8 ) = 6.0
element ( 13 ) = 1.0
element ( 14 ) = 1.0
element ( 20 ) = 1.0
element ( 22 ) = 0.5
element ( 26 ) = 0.5
chemical potential = -3369984.302165092
species = fe-buffonite
element ( 8 ) = 6.0
element ( 14 ) = 1.0
element ( 20 ) = 1.0
element ( 22 ) = 0.5
element ( 26 ) = 1.5
chemical potential = -2990743.743369296
species = ca-tschermaks
element ( 8 ) = 6.0
element ( 13 ) = 2.0
element ( 14 ) = 1.0
element ( 20 ) = 1.0
chemical potential = -3553565.6131309243
species = mg-tschermaks
element ( 8 ) = 6.0
element ( 12 ) = 1.0
element ( 13 ) = 2.0
element ( 14 ) = 1.0
chemical potential = -3435107.3249244657
species = fe-tschermaks
element ( 8 ) = 6.0
element ( 13 ) = 2.0
element ( 14 ) = 1.0
element ( 26 ) = 1.0
chemical potential = -3118293.2746493537
species = acmite
element ( 8 ) = 6.0
element ( 11 ) = 1.0
element ( 14 ) = 2.0
element ( 26 ) = 1.0
chemical potential = -2900236.5989210787
species = ferrosilite
element ( 8 ) = 6.0
element ( 14 ) = 2.0
element ( 26 ) = 2.0
chemical potential = -2692941.2409327812
Mole fraction of species ( diopside ) = 0.5890059304031954
Mole fraction of species ( clinoenstatite ) = 0.4255077604633264
Mole fraction of species ( hedenbergite ) = 0.6594832970644128
Mole fraction of species ( alumino-buffonite ) = 0.6859388889199427
Mole fraction of species ( buffonite ) = 0.6773027641140398
Mole fraction of species ( essenite ) = 0.7261516233724139
Mole fraction of species ( jadeite ) = 0.040846849153800546
Mole fraction of species ( fe-aluminobuffonite ) = 0.6130994635571386
Mole fraction of species ( fe-buffonite ) = 0.4338562556842901
Mole fraction of species ( ca-tschermaks ) = 0.791706498940424
Mole fraction of species ( mg-tschermaks ) = 0.2720723724391767
Mole fraction of species ( fe-tschermaks ) = 0.7544402417014177
Mole fraction of species ( acmite ) = 0.34512250102027053
Mole fraction of species ( ferrosilite ) = 0.5341198179795654
moles of component ( diopside ) = -2.7836644210186616
moles of component ( clinoenstatite ) = 1.9861401925834863
moles of component ( hedenbergite ) = 3.005641034345676
moles of component ( alumino-buffonite ) = 2.7721349645378295
moles of component ( buffonite ) = -0.36193759226241795
moles of component ( essenite ) = 2.5443707364534323
moles of component ( jadeite ) = 0.3859693501740711