Universidad de Antioquia

Cálculos VLE -Termodinámica Quı́mica

Type Calculate Given

BUBLE P yi , P xi , T
DEW P xi , P yi , T
BUBLE T yi , T xi , P
DEW T xi , T yi , P

BUBBLE P
Step 1. Read T, xi , constants
Step 2. Set all {φi } = 1.0
Step 3. Evaluate {Pisat }, use Antoine Equation. Evaluate {γi } and use GE model
P x γ P sat
Step 4. Calculate P = i i iφi i
xi γi Pisat
Step 5. yi = φi P

Step 6. Evaluate {φi } = φi (T, P, y1 , y2 , ...), {γi }

P x γ P sat
Step 7. P = i i iφi i

Step 8. Is δP = P step 7 − P step 4 < ? No go to step 3, else go to step 9

Step 9. Print P, {yi }

1
DEW P
Step 1. Read T, yi , constants
Step 2. Set all {φi } = 1.0 , {γi } = 1.0, calculate {Pisat } with Antoine
1
Step 3. Evaluate P = P
yi φi /(γi Pisat )
i

yi φi P
Step 4. Calculate {xi }= γi Pisat

Step 5. Evaluate {γi }

1
Step 6. Evaluate P = P
yi φi /(γi Pisat )
i

Step 7. Evaluate {φi } = φi (T, P, y1 , y2 , ...)

yi φi P
Step 8. Calculate {xi }= γi Pisat

xold
Step 9. Normalice {xi } use xnew
i = P i old
xi

Step 10. Evaluate {γi }

Step 11. Is δγi = γistep 10 − γistep 5 < ? No go to step 8, else go to step 12
1
Step 12. Evaluate P = P
yi φi /(γi Pisat )
i

Step 13. Is δP = P step 12 − P step 6 < ? No go to step 7, else go to step 14

Step 14. Print P, {xi }

2
BUBBLE T
Step 1. Read P, xi , constants
Step 2. Set all {φi } = 1.0
Bi
Step 3. Calculate {Tisat } = Ai −Ln(P )
− Ci

Step 4. Calculate T = i xi Tisat

P

Step 5. Calculate {Pisat } with Antoine

Step 6. Evaluate {γi }
Step 7. Identify species j
P
Step 8. Calculate {Pjsat }= P sat /P sat )
i (xi γi /φi )(Pi j

Bj
Step 9. Calculate T = Aj −Ln(Pjsat )
− Cj

Step 10. Calculate {Pisat } with Antoine

xi γi Pisat
Step 11. Calculate {yi }= φi P

Step 12. Evaluate {φi } = φi (T, P, y1 , y2 , ...)

Step 13. Evaluate {γi }
P
Step 14. Calculate {Pjsat }= P sat /P sat )
i (xi γi /φi )(Pi j

Bj
Step 15. Calculate T = Aj −Ln(Pjsat )
− Cj

Step 16. Is δT = T step 15 − T step 9 < ? No go to step 10, else go to step 17

Step 17. Print T, {yi }

3
DEW T
Step 1. Read P, yi , constants
Step 2. Set all {φi } = 1.0 and {γi } = 1.0
Bi
Step 3. Calculate {Tisat } = Ai −Ln(P )
− Ci

Step 4. Calculate T = i xi Tisat

P

Step 5. Calculate {Pisat } with Antoine and identify species j

P sat
Step 6. Calculate {Pjsat } = P i yγi φi i Pjsat
P
i

Bj
Step 7. Calculate T = Aj −Ln(Pjsat )
− Cj

Step 8. Calculate {Pisat } with Antoine

Step 9. Evaluate {φi } = φi (T, P, y1 , y2 , ...)
yi φi P
Step 10. Calculate {xi }= γi Pisat

Step 11. Evaluate {γi }

sat
yi φi Pj
Step 12. Calculate {Pjsat } = P
P
i γi Pisat

Bj
Step 13. Calculate T = Aj −Ln(Pjsat )
− Cj

Step 14. Calculate {Pisat } with Antoine

Step 15. Evaluate {φi } = φi (T, P, y1 , y2 , ...)
yi φi P
Step 16. Calculate {xi }= γi Pisat

xold
Step 17. Normalice {xi } use xnew
i = P i old
xi

Step 18. Evaluate {γi }

Step 19. Is δγi = γistep 18 − γistep 11 < ? No go to step 10, else go to step 20
P sat
Step 20. Calculate {Pjsat } = P i yγi φi i Pjsat
P
i

Bj
Step 21. Calculate T = Aj −Ln(Pjsat )
− Cj

Step 22. Is δT = T step 21 − T step 13 < ? No go to step 14, else go to step 23

Step 23. Print T, {xi }

4
FLASH CALCULATIONS
Step 1. Read T, P, Zi , constants
Step 2. DEW P calculation with {yi } = {zi }
Step 3. BUBBLE P calculation with {xi } = {zi }
Step 4. Is PDEW < P < PBU BBLE ? Yes go to step 5, no STOP
Step 5. Evaluate {γi }, {φi }, ν
yi γi Pisat
Step 6. Calculate κi = xi
= φi P
P zi (κi −1) dF
P zi (κi −1)2
Step 7. Use F = i 1+ν(κi −1) and dν
=− i [1+ν(κi −1)]2 to find ν (use Newton)
zi
Step 8. Calculate {xi }= 1+ν(κi −1)

Step 9. Evaluate {yi } = κi xi

Step 10. Evaluate {γi }, {φi }, ν
Step 11. Are δν < 1 , δxi < 2 and δyi < 3 ? No go to step 6, else go to step 12
Step 12. Print ν, {xi }, {yi }