UseCase1:ReactionfromInputtoformProduct

Thefirstusecaseaddressestheprimaryfunctionofthesystem,whichistoproducepolysilicon
productfromaninputofmetallurgicalgradesilicon(MGSi)andhydrogenchloride(HCl).This
usecasealsoaddressesthegoalofdealingwiththetoxictetrachlorosilanebyformingitinto
anotherproduct,namelysilicondioxide(SiO)2.Althoughthespecificconditions

oftheprocessmaybevariable,thegeneralizedbehaviorofthesystemisasfollows:MGSiis
fedinwithHCltoformtrichlorosilane(TCS)andimpurities.TheTCSisthenisolatedand
reactortoformpolysiliconrods.TheTETbyproductsarethenreactedwithwaterinaseparate
reactortoforSiO2.Theindividualscenariosdetailtheindividualreactionsandsubsystems
thattogethercomprisetheoverallprocess:

Formationofchlorosilanes
Description:MGSiisreactedwithdryHCltoformTCS,TET,andotherimpurities
PrimaryObject:FluidizedBedReactor
PrimaryActors:SolidSiandHCl
Precondition:FBRisatspecifiedoperatingconditions
FlowofEvents:
1. SolidSiisfedintothereactor
2. HClisinputtedthroughbottomofsystem
3. HClreactswithSitoformsiliconchlorides
4. Vaporcollectedfromtopofreactor
5. Unreactedmassremovedthroughbottomofreactor
Postcondition:Trichlorosilaneisproduced,alongwithtetracholorsilane,
hydrogen(H2),borontrichloride(BCl3),andPhosphatePentachloride(PCl5).
SeparationofFBRproducts
Description:ProductsfromtheFBRareseparatedintodesirablesandundesirablesvia
aseriesofdistillationcolumns
PrimaryObject:DistillationColumn
PrimaryActors:H2,TCS,TET,BCl3,PCl5
Precondition:FBRproductsarefedinatproperconditionsanddistillationcolumnis
maintainedatproperconditions
FlowofEvents:
1. FBRproductsarefedintocolumn
2. FBRproductsundergoreflux
3. Lowboilingimpuritiesexitatthetopofthecolumn

4.Highboilingimpuritiesexitatthebottomofthecolumn
Postcondition:Thedesiredcompoundisisolatedatacertainpuritylevelandpassed
ontothenextstepinthereaction

SeparationofH2
Description:H2isremovedfromtheFBRproducts
PrimaryObject:FlashDistillationDrum
PrimaryActors:H2,TCS,TET,BCl3,P2Cl5
Precondition:Inputsarefedinatproperconditionsandthedistillationdrumis
maintainedatproperconditions
FlowofEvents:
1. FBRproductsarefedintodrum
2. ProductscooleduntilonlyH2remainsasgas
3. H2exitsandothercompoundsareisolated
Postcondition:AllH2isremovedfromtheFBRproductstream.TheH2free
streamcontinuesthroughtherestoftheprocess.TheremovedH2is
recycledforuselaterintheprocess.

SeparationofBCl3
Description:BCl3isremovedfromtheH2separationproducts
PrimaryObject:DistillationColumn
PrimaryActors:TCS,TET,BCl3,P2Cl5
Precondition:Inputsarefedinatproperconditionsandthe
distillationcolumnismaintainedatproperconditions

FlowofEvents:
4. H2separationproductsarefedintocolumn
5. H2separationcolumnproductsundergoreflux
6. BCl3 boilsmosteasilyandexitsatthetopofthecolumn,witha
smallamountofothercompounds
7. Othercompoundsexitatthebottomofthecolumn

Postcondition:AllBCl3isremovedfromtheH2separationsproductstreamand
exitstheprocessaswaste.TheBCl3freestreamcontinuesthrough
the restoftheprocess.

Scenario(1.2.3):SeparationofPCl5
Description:PCl5isremovedfromtheBCl3separationproducts
PrimaryObject:DistillationColumn
PrimaryActors:TCS,TET,P2Cl5
Precondition:Inputsarefedinatproperconditionsanddistillationcolumnis
maintainedatproperconditions
FlowofEvents:
1. BCl3separationproductsarefedintocolumn
2. BCl3separationproductsundergoreflux
3. PCl5 boilsleastreadilyandisseparatedfromtheothercompounds
andexitsatthebottomofthecolumn
4. Allothercompoundsexitatthetopofthecolumn
Postcondition:AllPCl5isremovedfromtheBCl3separationsproductstream
andexitstheprocessaswaste.ThePCl5freestreamcontinuesthrough
therestoftheprocess.
Scenario(1.2.4):SeparationofTET
Description:TETisremovedfromthePCl5products
PrimaryObject:DistillationColumn
PrimaryActors:TCS,TET
Precondition:Inputsarefedinatproperconditionsanddistillationcolumnis
maintainedatproperconditions
FlowofEvents:
1. PCl5separationproductsarefedintocolumn
2. PCl5separationproductsundergoreflux
3. TETboilslessreadilyandisseparatedfromTCSandexitsatthe
bottomofthecolumn
4. TCSexitsatthetopofthecolumn

Postcondition:MostTETisremovedfromtheTCSproductstreamatthetopof
thecolumn.Bothstreamsgoontobeprocessedfurther
Formationofpolysilicon
Description:TCSisreactedwithH2toformpolysiliconrods
PrimaryObject:SiemensCVDreactor
PrimaryActors:TCS,H2
Precondition:CVDisatspecifiedoperatingconditions,siliconwillonlydepositonthe
seedrods
FlowofEvents:
1. TCSismixedwithH2andfedintotheCVDreactor
2. TCSreactswithH2toformTET,HCl,andthedesiredpolysilicon
3. PolysilicondepositsontothesiliconseedrodsoftheCVDreactor
4. OthercompoundspassthroughtheCVDforfurtherprocessing
5. Polysiliconrodscollectedattheendoftheprocess
Postcondition:Polysiliconrodsof99.9999%purityareformed.

Scenario(1.4):SeparationofCVDproducts
Description:ProductsfromtheCVDareseparatedintodesirablesandundesirablesvia
aseriesofdistillationcolumns
PrimaryObject:DistillationColumn
PrimaryActors:TCS,TET,HCl,DCS
Precondition:CVDproductsarefedinatproperconditionsanddistillationcolumn
ismaintainedatproperconditions
FlowofEvents:
1. CVDproductsarefedintocolumn
2. CVDproductsundergoreflux
3. Lowboilingimpuritiesexitatthetopofthecolumn
4. Highboilingimpuritiesexitatthebottomofthecolumn
Postcondition:Thedesiredcompoundisisolatedatacertainpuritylevelandpassed
ontothenextstepinthereaction

Scenario(1.4.1):SeparationofTET
Description:TETisremovedfromtheCVDproducts
PrimaryObject:DistillationColumn
PrimaryActors:TCS,TET,HCl,DCS
Precondition:Inputsarefedinatproperconditionsanddistillationcolumnis
maintainedatproperconditions
FlowofEvents:
1. CVDproductsarefedintocolumn
2. CVDproductsundergoreflux
3. TETboilsleastreadilyandisseparatedfromTCSandexitsatthe
bottomofthecolumn
4. TCS,HCl,andDCSexitsatthetopofthecolumn
Postcondition:MostTETisremovedfromstreamatthetopofthe
column.Bothstreamsgoontobeprocessedfurther

Scenario(1.4.2):SeparationofHCl
Description:HClisremovedfromtheCVDproductsforrecycle
PrimaryObject:DistillationColumn
PrimaryActors:TCS,HCl,DCS
Precondition:Inputsarefedinatproperconditionsanddistillationcolumnis
maintainedatproperconditions
FlowofEvents:
1. TETSeparationproductsarefedintocolumn
2. TETSeparationproductsundergoreflux
3. HClboilsmosteasilyandexitsatthetopofthecolumn
4. TCS,DCSexitatbottom
Postcondition:MostHClisremovedfromstreamatthebottomofthe
column.Bothstreamsarerecycledbackintotheprocess

Scenario(1.5):FormationofSiO2

Description:TETisreactedwithH2OtoformSiO2
PrimaryObject:HydrolysisReactor
PrimaryActors:TET,H2O
Precondition:TETfromotherpartsintheprocessismixedwithwaterandfedinat
theproperconditions
FlowofEvents:
1. TETandH2Oaremixedandenterthereactor
2. TETreactswithH2OtoformSiO2andHCl
3. Productsexitthereactor
Postcondition:SiO2isformedandmostoftheTETformedfromtheearlierstagesin
theprocessisconsumed

Scenario(1.5.1):SeparationofSiO2
Description:SolidSiO2productsareseparatedfromtheothercompounds
PrimaryObject:Cyclone
PrimaryActors:SiO2,HCl
Precondition:Inputsarefedinatproperconditionsandcyclone
ismaintainedatproperconditions.SiO2isasolid.
FlowofEvents:
1. SiO2,HClproductandsmallamountsofTCS,TET,andwaterare
fedintothecyclone
2. SolidSiO2fallstothebottomandexitsthecyclone
3. Gaseouscompoundsexitthroughthetopofthecyclone
Postcondition:AllSiO2isseparatedfromthehydrolysisreactorproductstream.