Chemical Plant Design Project

Phase II: Upstream Section

 Main objectives of Phase II:
 Development of a simulation base case
for the upstream part of the plant
using Aspen Plus
• Reactor system
• Auxiliary processing equipment:
temperature & pressure changers
 Capital and operating cost estimation

Methyl Acetate Plant Design

Project

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 Methyl Acetate Plant Design Project
Memorandum # 2 (Reaction section)
* Economic potential appears to be favorable
* Need to focus on upstream processing section
* Main reaction scheme:
CH3OH + CH3COOH  CH3COOCH3 + H2O
(Methanol) (Acetic acid) (Methyl Acetate) (water)

* By-product formation can be neglected

- Catalyst is 100% selective to MeOAc
formation under laboratory reaction conditions

“Just-in-Time” R & D Lab Experiments

* Esterification runs conducted in small scale
continuous stirred tank laboratory reactor.
* MeOH Conversion data collected from various runs
under isothermal and isobaric conditions:
* Variable feed conditions:
- Reactant molar feed rates
-Temperature
- Pressure
- Volumetric flow rate
* Catalyst information:
- 98% Sulfuric acid
- 1 lb H2SO4/100 lbs acetic acid

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 Sample
R&DR Laboratory
& D Laboratory
Experiments
Results

Outlet stream conditions

R & D Laboratory Results

* Reaction appears to be equilibrium limited
- Equilibrium constant: Keq ~ 5.47
- Weak temperature dependence

* Need to determine the form and parameters of the

reaction rate law from the kinetic and equilibrium data
- Assume ideal solution
- Express reaction rate in concentration units

Pay attention to the form of the rate

equation and the units when entering
! kinetic data into Aspen

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Suggested Reactor Operating Conditions
* Typical temperature range: 150 to 275 F
- Limit maximum temperature to 300 F
* Typical pressure range:
- Maintain reaction in liquid phase
* Feedstock specifications:
- MeOH from storage (60 F, 14.7 psia)
- Acetic Acid from storage (60 F, 14.7 psia)
- Sulfuric Acid from storage (60 F, 14.7 psia)

Additional Specifications
* Production specifications:
- 100 million lb Methyl Acetate/yr (99 wt.% purity)
- Operate reactor 350 days/yr

* Aspen Thermodynamic property package selection:

- Choose the NRTL as base property package
- Choose the Redlich Kwong (RK) for vapor model
- Choices are critical for the results; especially for
the separation equipment design
- Different thermodynamic models can be chosen
for different parts of the flowsheet, if necessary

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 Your Task (Phase II)
 Objective: Develop a simulation base case
in Aspen Plus
 Main issues to focus on:
 Reaction kinetics
 Choice of unit operations
 Choice of reactor configurations
 Choice of operating conditions
 Rationale for design decisions
 Equipment sizing information
 Estimation of capital and operating costs