D.

Reactors in HYSYS
Gibbs Reactors
A feed containing 3 kg/mol-hr Ethane and 1.5 kg-mol/hr water entering at 1 atm and 350 C is to be cracked into Ethylene and Hydrogen sing a !ibbs reactor.
C " H $ Cat C" H # + H " .

%nitial &et ' 1. &tart a new case in H(&(& ". &elect )ater* Ethylene/Ethene* Ethane* and Hydrogen as the com'onents. 3. &ince these com'onents are gasses at high tem'erat res* select the &+, fl id 'ackage. #. &elect the reaction tab of the &im lation -asis .anager and click on /Add +eaction0.

5. &ince !ibbs reactions are E1 ilibri m reactions* select /E1 ilibri m0 from the men . $. )hen the E1 ilibri m +eaction window 'o's '* select the com'onents which are 'resent d ring the reaction* and enter in g esses for their &toichiometric Coefficient. ,ee' in mind that the reactant* Ethane* m st ha2e a negati2e coefficient. Click /-alance0 to check the g esses. 3otice stat s of the reaction goes from not ready to ready. Close the window.

4. Click on /Add &et0 and then add /+5n 6 10 to the Acti2e 7ist.

8. Click /Add to 9:0* make s re that ::; &+, is selected and click /Add &et to 9l id :ackage0. 3ow the sim lation is set '. Click on /Enter &im lation En2ironment to goto the :9< and start the sim lation.

:lacing and + nning the +eactor 1. :lace 3 material streams for the feed* li1 id o tlet and 2a'or o tlet* and rename the streams res'ecti2ely.

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". Click on the !eneral +eactors icon in the &im lation =oolbar* which brings ' a list of 3 general ty'es of reactors. &elect the !ibbs reactor and 'lace it in the :9<.

3. <o ble click on the !ibbs +eactor to bring ' its connection men . Connect the 9eed to inlet and the li1 id and 2a'or streams to their a''ro'riate locations. Note: Check the +eactions tab* and as long as /!ibbs +eactions >nly0 is selected* no f rther s'ecifications are necessary.

#. &'ecify the feed stream. %t is at 1 atm* 350 ?C* has a ethene molar flow rate of 3 kgmols/hr* and a water molar flow rate of 1.5 kg-mols/hr. Heated and Cooled !ibbs +eactors >nce the feed is s'ecified eno gh data is entered and the reaction is sim lated. - t a 1 ick check of the workbook leads to 2ery dismal con2ersion. 9or cracking reactions* tem'erat res aro nd 1000 ?C are needed. 1. >ne way to increase con2ersion is to s'ecify the reactor inlet at a high tem'erat re. ". H(&(& also has the ability to sim late heated or cooled reactors. =o do this* add an Energy stream to the :9<. =hen <o ble click on the !ibbs reactor and select that energy stream to the >'tional Energy Hook- '.

3. 3ow that the energy stream is selected* the tem'erat re of one of the o tlet streams has to be selected to determine how m ch energy the reactor needs. .odify the o tlet tem'erat re ntil a desirable con2ersion is fo nd

Conversion Reactions
A stream of ' re methane at #00 bar and 84 ?C and flowing at 3" kg/hr enters in a reactor* where it ndergoes com'lete comb stion. =here is e5cess air d ring in the reactor and the con2ersion is @5A.
CH # + O" CO" + H " O

%nitial &et ' 1. &tart a new case in H(&(& ". &elect methane* o5ygen* air* water* and carbon-dio5ide as the com'onents. 3. &ince these com'onents are all gasses* select the :eng-+obinson fl id 'ackage. #. &elect the reaction tab of the &im lation -asis .anager and click on /Add +eaction0.

5. &ince this is a con2ersion reaction* select it from the list.

$. &elect all of the com'onents that are 'resent for the comb stion of methane* and enter in g esses for their stoichiometric coefficients* kee'ing in mind that the reactants*

methane and air* m st ha2e negati2e coefficients. =hen click /-alance to correct the coefficient g esses.

4. 3ow the con2ersion needs to be s'ecified. Click the basis tab* and enter in @5 nder /Co0. =ake note that the con2ersion has to be in 'ercentage form* not decimal form. =he reaction now goes from /3ot +eady0 to /+eady0. 3ote; (o will see a con2ersion e1 ation below the com'onent windows that looks like Con2ersion BAC D Co E C1F= E C"F=G"H here the con2ersion is I st a straight @5A con2ersion so only a Co is needed* howe2er* if there was a 1st J/or "nd order tem'erat re de'endent con2ersion 2al es for C1 and C" wo ld need to be added.

8. Click on /Add &et0 and add /+5n 6 10 to the Acti2e 7ist.

@. Click /Add to 9:0* make s re that ::; :eng-+obinsion is selected and click /Add &et to 9l id :ackage0. 3ow the sim lation is set '. Click on /Enter &im lation En2ironment.

:lacing and + nning the +eactor 1. :lace # material streams for the methane* air* li1 id o tlet and 2a'or o tlet* and rename the streams res'ecti2ely.

". Click on the !eneral +eactors icon in the &im lation =oolbar* which brings ' a list of 3 general ty'es of reactors. &elect the Con2ersion reactor and 'lace it in the :9<.

3. <o ble click on the Con2ersion +eactor to bring ' its connection men . Connect the methane and air streams the inlet and the li1 id and 2a'or streams to their a''ro'riate o tlets.

#. 3ow the reaction has to be s'ecified. Click on the +eactions tab. &elect !lobal +eaction &et. Check to see if the a''ro'riate reaction* +5n-1* has a tomatically been selected.

5. &'ecify the 'ro'ane and air streams. =he 'ro'ane enters the reactor at #00 bar* 84 ?C* and has a flow rate of 34 kg/hr. =he air enters in at 1 atm* "5 ?C* and is in e5cess with the 'ro'ane* so has a flow rate of 45 kg/hr. $. 3ow that the feeds are s'ecified* the s'ecification is com'lete and Note; H(&(& also has the ability to sim late heated or cooled con2ersion reactors. Altho gh not necessary in this case* the reactors can be heated or cooled to aid with the kinetics of the reaction. =o sim late those ty'es of reactors* follow the 'rocess to do this to a !ibbs reactor.

Equilibrium Reactors
A 100 kg-mol/hr feed containing 50 molA 3itrogen and 50 molA Hydrogen entering at 1 atm and 50 C is to ndergo an e1 ilibri m reaction to 'rod ce ammonia. %nitial &et ' 1. &tart a new case in H(&(& ". &elect 3itrogen* Hydrogen* and Ammonia as the com'onents. 3. &ince these com'onents are all gasses* select the :eng-+obinson fl id 'ackage. #. &elect the reaction tab of the &im lation -asis .anager and click on /Add +eaction0.

5. &ince !ibbs reactions are E1 ilibri m reactions* select /E1 ilibri m0 from the men . $. )hen the E1 ilibri m +eaction window 'o's '* select the com'onents which are 'resent d ring the reaction* and enter in g esses for their &toichiometric Coefficient. ,ee' in mind that the reactants* 3itrogen and Hydrogen* m st ha2e a negati2e coefficient. Click /-alance0 to check the g esses. 3otice stat s of the reaction goes from not ready to ready. 3e5t* click the /-asis0 tab.

4. =he basis tab gi2es s some o'tions on how the reaction can be sol2ed. 9or most cases* sing the !ibbKs 9ree energy a''roach is acce'table* as it allows the sim lation to go forward witho t any additional data re1 ired. !enerally s'eaking it gi2es 2ery close res lts. %f there is e5'erimental or tab lated e1 ilibri m data is a2ailable* they can be entered in as well in the ste's below.

If Keq is Known %f the E1 ilibri m Constant ,e1 is known it can be entered into H(&(& directly by selecting the /9i5ed ,e10 o'tion. =hen select the /,e10 tab. >nce there enter in the ,e1 constant directly in* and the reaction is ready.

If a n!Keq" equation is #nown %f a tem'erat re de'endant 7nB,e1C e1 ation is known* itcan be entered into H(&(& as well. &elect /7nB,e1C and then select the /,e10 tab. >nce there enter in the e1 ation constants can be entered in to the A* -* CL etc tabs as shown in the e1 ation to the right.

If t$e reaction is in HYSYS%s Reaction ibrar& H(&(& has tab lated e1 ilibri m data for se2eral common e1 ilibri m reactions. )hen setting ' an e1 ilibri m reaction* always check to see if the reaction is in the reaction library* as it is the most acc rate method of sol2ing. =o se a reaction from the e1 ilibri m library* select the ,e1 2s. = table o'tion* and then select the /7ibrary0 tab. >nce there* scroll thro gh the list of reactions and check to see if it is there. %f it is there* select it and 'ress /Add 7ibrary +eaction0

'inal Setu( of t$e Reaction 1. Click on /Add &et0 and then add /+5n 6 10 to the Acti2e 7ist.

". Click /Add to 9:0* make s re that ::; &+, is selected and click /Add &et to 9l id :ackage0. 3ow the sim lation is set '. Click on /Enter &im lation En2ironment to goto the :9< and start the sim lation.

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3. :lace 3 material streams for the feed* li1 id o tlet and 2a'or o tlet* and rename the streams res'ecti2ely.

#. Click on the !eneral +eactors icon in the &im lation =oolbar* which brings ' a list of 3 general ty'es of reactors. &elect the E1 ilibri m reactor and 'lace it in the :9<.

5. <o ble click on the E1 ilibri m +eactor to bring ' its connection men . Connect the 9eed to inlet and the li1 id and 2a'or streams to their a''ro'riate locations.

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$. &elect the +eactions =ab* and then select the a''ro'riate reaction and reaction set. 4. &'ecify the feed stream. %t is at 1 atm* 350 ?C* has a ethene molar flow rate of 3 kg-mols/hr* and a water molar flow rate of 1.5 kg-mols/hr. Heated and Cooled E1 ilibri m +eactors >nce the feed is s'ecified eno gh data is entered and the reaction is sim lated. - t a 1 ick check of the workbook leads to 2ery dismal ammonia con2ersion. =his is beca se this e1 ilibri m reaction fa2ors the 'rod ct at cold tem'erat res. 1. H(&(& also has the ability to sim late heated or cooled reactors. =o do this* add an Energy stream to the :9<. =hen <o ble click on the !ibbs reactor and select that energy stream to the >'tional Energy Hook- '.

". 3ow that the energy stream is selected* the tem'erat re of one of the o tlet streams has to be selected to determine how m ch energy the reactor needs. .odify the o tlet tem'erat re ntil a desirable con2ersion is fo nd

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