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Example23

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CHAPTER2:

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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

Component Molarmass(g/mol) Molardensity(mol/l)at298.15K

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):

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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

Component x(vol/vol) Vol(l) x(mol/mol) moles


Isooctane

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}

Component Vol(l) x(vol/vol) moles x(mol/mol)


Isooctane

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

Component Vol(l) x(vol/vol) moles x(mol/mol)


Isooctane

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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