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Ethylene To Ethanol Process noRCL

The document provides a tutorial on the equilibrium analysis of ethylene hydration, focusing on the reaction of ethylene and water to produce ethanol. It discusses the concepts of limiting reactants, conversion, and extent of reaction, emphasizing the thermodynamic factors that influence the process. The conclusions highlight that equilibrium conversion is maximized at lower temperatures, higher pressures, and higher feed ratios, while also addressing design trade-offs for optimizing reactor conditions in ethanol production.

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Maurice Politis
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25 views18 pages

Ethylene To Ethanol Process noRCL

The document provides a tutorial on the equilibrium analysis of ethylene hydration, focusing on the reaction of ethylene and water to produce ethanol. It discusses the concepts of limiting reactants, conversion, and extent of reaction, emphasizing the thermodynamic factors that influence the process. The conclusions highlight that equilibrium conversion is maximized at lower temperatures, higher pressures, and higher feed ratios, while also addressing design trade-offs for optimizing reactor conditions in ethanol production.

Uploaded by

Maurice Politis
Copyright
© © All Rights Reserved
We take content rights seriously. If you suspect this is your content, claim it here.
Available Formats
Download as PDF, TXT or read online on Scribd
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Equilibrium Analysis of Ethylene Hydration

A Tutorial for SXE ChemEng course

C2H4 + H2O C2H5OH


Ethylene + Water ⇌ Ethanol
Industrial process for ethanol production (fuel/chemical).
Equilibrium Analysis of Ethylene Hydration

A Tutorial for SXE ChemEng course

C2H4 + H2O C2H5OH


Ethylene + Water ⇌ Ethanol
Industrial process for ethanol production (fuel/chemical).
Equilibrium-limited: Conversion depends on thermodynamics.
Equilibrium Analysis of Ethylene Hydration

A Tutorial for SXE ChemEng course

C2H4 + H2O C2H5OH


Ethylene + Water ⇌ Ethanol
Industrial process for ethanol production (fuel/chemical).
Equilibrium-limited: Conversion depends on thermodynamics.
Goal: Analyze effects of T , P, and feed ratio (λ).
Limiting Reactant, Conversion, and Extent of Reaction
Definitions
Limiting Reactant: The reactant that is completely
consumed first, limiting the reaction’s progress.
Limiting Reactant, Conversion, and Extent of Reaction
Definitions
Limiting Reactant: The reactant that is completely
consumed first, limiting the reaction’s progress.
Conversion (X ): Fraction of the limiting reactant that
reacts, 0 ≤ X ≤ 1.

For C2H4 + H2O C2H5OH


Feed: C2H4 (NE ,0 ), H2O (NW ,0 = λNE ,0 ).
Limiting Reactant: C2H4 if λ > 1 (excess water).
Limiting Reactant, Conversion, and Extent of Reaction
Definitions
Limiting Reactant: The reactant that is completely
consumed first, limiting the reaction’s progress.
Conversion (X ): Fraction of the limiting reactant that
reacts, 0 ≤ X ≤ 1.
Extent of Reaction (ξ): Moles of reaction progress based on
stoichiometry.

For C2H4 + H2O C2H5OH


Feed: C2H4 (NE ,0 ), H2O (NW ,0 = λNE ,0 ).
Limiting Reactant: C2H4 if λ > 1 (excess water).
NE ,0 −NE
Conversion: X = NE ,0 , ξ = NE ,0 X .
Limiting Reactant, Conversion, and Extent of Reaction
Definitions
Limiting Reactant: The reactant that is completely
consumed first, limiting the reaction’s progress.
Conversion (X ): Fraction of the limiting reactant that
reacts, 0 ≤ X ≤ 1.
Extent of Reaction (ξ): Moles of reaction progress based on
stoichiometry.

For C2H4 + H2O C2H5OH


Feed: C2H4 (NE ,0 ), H2O (NW ,0 = λNE ,0 ).
Limiting Reactant: C2H4 if λ > 1 (excess water).
NE ,0 −NE
Conversion: X = NE ,0 , ξ = NE ,0 X .
Moles at exit: NE = NE ,0 (1 − X ), NW = NE ,0 (λ − X ),
NEtOH = NE ,0 X . Relation: ξ measures reaction extent in
moles, X = NEξ ,0 scales it to the limiting reactant.
Stoichiometry and Equilibrium Setup
Definitions and Mole Balances
Limiting Reactant: Ethylene (NE ,0 ), assuming excess water
(NW ,0 = λNE ,0 , λ > 1).

Species Inlet Outlet


C2H4 NE ,0 NE ,0 (1 − X )
H2O λNE ,0 NE ,0 (λ − X )
C2H5OH 0 NE ,0 X
Total NE ,0 (1 + λ) NE ,0 (1 + λ − X )
Stoichiometry and Equilibrium Setup
Definitions and Mole Balances
Limiting Reactant: Ethylene (NE ,0 ), assuming excess water
(NW ,0 = λNE ,0 , λ > 1).
NE ,0 −NE
Conversion (X ): X = NE ,0 , fraction reacted.

Species Inlet Outlet


C2H4 NE ,0 NE ,0 (1 − X )
H2O λNE ,0 NE ,0 (λ − X )
C2H5OH 0 NE ,0 X
Total NE ,0 (1 + λ) NE ,0 (1 + λ − X )

Equilibrium Constant
PEtOH yEtOH 1
Keq = PE PW = yE yW P (ideal gas, fi = yi P)
1−X λ−X X
Mole fractions: yE = 1+λ−X , yW = 1+λ−X , yEtOH = 1+λ−X .
Stoichiometry and Equilibrium Setup
Definitions and Mole Balances
Limiting Reactant: Ethylene (NE ,0 ), assuming excess water
(NW ,0 = λNE ,0 , λ > 1).
NE ,0 −NE
Conversion (X ): X = NE ,0 , fraction reacted.
Extent (ξ): ξ = NE ,0 X , moles reacted.
Species Inlet Outlet
C2H4 NE ,0 NE ,0 (1 − X )
H2O λNE ,0 NE ,0 (λ − X )
C2H5OH 0 NE ,0 X
Total NE ,0 (1 + λ) NE ,0 (1 + λ − X )

Equilibrium Constant
PEtOH yEtOH 1
Keq = PE PW = yE yW P (ideal gas, fi = yi P)
1−X λ−X X
Mole fractions: yE = 1+λ−X , yW = 1+λ−X , yEtOH = 1+λ−X .
Equilibrium Derivation

Activity and Fugacity


fi
Activity (ai ): ai = fi ◦ , effective concentration.
Equilibrium Derivation

Activity and Fugacity


fi
Activity (ai ): ai = fi ◦ , effective concentration.
Fugacity (fi ): fi = yi ϕi P, corrects for non-ideal behavior.
Equilibrium Derivation

Activity and Fugacity


fi
Activity (ai ): ai = fi ◦ , effective concentration.
Fugacity (fi ): fi = yi ϕi P, corrects for non-ideal behavior.
Assumption: ϕi = 1 (ideal gas), so K = Keq .
Equilibrium Derivation

Equilibrium Equation
X (1 + λ − X )
Keq P =
(1 − X )(λ − X )
4760
− 1.558 ln T + 0.222 × 10−2 T − 0.29 × 10−6 T 2

Keq = exp −5.56 + T

Keq Pλ
Rearranges to: X 2 − (1 + λ)X + 1+Keq P =0
Conclusions

Equilibrium conversion (X ) is maximized at:


Lower temperatures (thermodynamic favorability).
Higher pressures (fewer moles on product side).
Higher λ (drives reaction forward).
Conclusions

Equilibrium conversion (X ) is maximized at:


Lower temperatures (thermodynamic favorability).
Higher pressures (fewer moles on product side).
Higher λ (drives reaction forward).
Design Trade-offs:
Low T boosts X but may slow kinetics.
High P and λ enhance yield but increase costs.
Conclusions

Equilibrium conversion (X ) is maximized at:


Lower temperatures (thermodynamic favorability).
Higher pressures (fewer moles on product side).
Higher λ (drives reaction forward).
Design Trade-offs:
Low T boosts X but may slow kinetics.
High P and λ enhance yield but increase costs.
Use this analysis to optimize reactor conditions for ethanol
production.

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