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Example2.3:Flexfuelmodel
E85gasolinemayberepresentedinasimplifiedwayusingamixtureofisooctaneforthehydrocarbon(15%volume)andan
ethanolwatermixtureforthealcohol(85%volume).Forthesakeoftheexample,weconsiderthatthealcoholusedforthe
mixing have been obtained by simple distillation: its composition in ethanol is very close to the binary azeotrope between
waterandethanol.A0.965volumefractioncompositionwillbeused.Themixtureismadeat298.15K(25C)andthemolar
volumesareavailableatthistemperatureforeachcomponent.
LocatethisE85gasolineonfigure1.
Inadistilleryregion,adriveradds5litresofa70%volumealcoholtothe25litresofE85inthecarfueltank.What
happens?Hastheclimateanimportanceintheresultofthemixing?
Listofexamples
2.1:Refrigerationsystem
2.2:VLEobservation
Torepairthe"mistake",thedriverdecidestofillupthetankwithonlygasoline(isooctane)yettheflexmotoris
designedtoworkwithanyofthesefuels.Supposehefillsthecontaminatedtankwith20litresofC8H18.What
happens?Isthephenomenonduetothe"mistake"?
2.3:Flexfuelmodel
Table1:Constantsforexample
2.4:Phaseenvelopeofanatural
gaswithretrogradecondensation
2.5:Entropyriseinaidealgas
expansion
2.6:Cryogenicplant
2.7:Distillationcolumn
Isooctane
114.2
6.0205
Ethanol
46.1
17.04
Water
18.0
55.384
2.8:Energybalanceinacolumn
feed
2.9:Riskofcondensationofwater
inagasstream
Analysis:
Pressure and temperature are near ambient. Only compositions and phase behaviour are of interest. Components are
2.10:Effectofthefeedcomposition
hydrocarbon,alcoholandwater.Waterisknownnottomixwithhydrocarbons.Ethanolisasolventforbothotherfluids.A
onthewatergasshiftreaction
twophaseliquidliquidzonewillbeobserved.ThediagramistypeI(drawninfigure1).
2.11:Effectoftemperatureonthe
reactionconstant
Solution:
2.12:Chemicallooping
Seecompleteresultsinfile(xls):
Download
Somehelponnomenclatureandtipstousethisfilecanbefoundhere.
First of all, equilibrium data are given in molar composition and gasoline measurements are made on a volume basis.
Conversionmustbecarriedoutusingmolarvolume.
LocationofthepointdescribingtheE85impliesthatitscompositionisknownexactly.Itismadefrom15%isooctaneand
85 % of the ethanolwater mixture. If the "Ethanol" mixture contains 0.965 of pure ethanol then the net ethanol volume
compositionwillbe0.82025.Forthevolumeof25l,thenumberofmolesandmolarfractionsare:
Table2:OriginalE85gasforexample
0.15
3.75
0.0546
22.58
Ethanol
0.82025
20.51
0.8457
349.43
Water
0.02975
0.74
0.0997
41.19
Total
25.00
413.20
With 0.8457 molar fraction of ethanol in the mixture, The E85 is very near the top of the triangle (point A in figure 1). The
watercompositionisalmostonthe10%isoline.Thispointbelongstothesinglephasezone,sothefuelmixisOK.
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Example23
Figure1:OriginalE85compositionintheternarydiagram
5litresofrawalcoholfromaretortisnowaddedtothefuel.Thesametablestartingwithavolumecompositionof{0,0.7,0.3}
iscreated.Themixtureisobtainedaddingthemolesofeachcomponent,resultingintable3.
Table3:Firstmixtureofgasforexample{E85+5lofalcohol}
3.75
0.125
22.58
0.0406
Ethanol
24.01
0.8002
409.07
0.7358
Water
2.24
0.0748
124.27
0.2235
Total
30.00
555.91
Theresultingpointisslightlybelowtheformer(pointBonfigure2).Onthe323.15diagram,thepointisstillintheonephase
area,butonthe298.15diagramthepointislocatedverynearthetwophaselimit.Ifthetemperaturedropsafewdegrees,
theliquidwillsplitintotwophases.Itcanbeconsideredadangerousmistake.
Figure2:Firstmixture{E85composition+alcohol}intheternarydiagramat323.15and298.15K
Willadding20litresofpureisooctanecorrectthismistake?Anotherbalanceofthesamekindismadetoobtain:
Table4:Secondmixtureofgasforexample
23.75
0.4750
142.99
0.2114
Ethanol
24.01
0.4801
409.07
0.6048
Water
2.25
0.0449
124.27
0.1837
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Example23
Total
50.00
676.33
Now the mixture contains close to 60 % ethanol and a similar amount of water and isooctane. This point (C in figure 3) is
locatedinthetwophasezoneindicatingaseparationintotwolayers:atthebottom,theaqueousphase(with66%ethanol
and20%waterat323.15K)andanorganicphasewithverylittleethanolandessentiallyisooctaneontop.
Figure3:Secondmixture{E85composition+alcohol}intheternarydiagram
The cause is the excessive presence of water. Industrial E85 is made of very pure ethanol (99.8 % volume). Water is
removedusingaspecialdehydrationcolumnormolecularsieves.Checktheresultinthiscase.
Verysimilarbehaviourwouldbeobservedfillingdirectlyisooctane(20l)ontherawE85(5l).Thecompositionisgivenby
pointDonfigure4.
Figure4:Mixture{E85composition+pureisooctane}intheternarydiagram
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Example23
Contacts TermsofUse 2011IFPEnergiesnouvelles
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