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Aspen PlusNRTL-RK

Cumene Industrial Process Simulation & High-Purity Distillation

Simulating benzene alkylation with propylene in Aspen Plus, featuring a multi-column distillation train, 99.98% product purity optimization, and unreacted benzene recycling.

Cumene Industrial Process Simulation & High-Purity Distillation

1. Project Overview & Context

Simulating benzene alkylation with propylene in Aspen Plus, featuring a multi-column distillation train, 99.98% product purity optimization, and unreacted benzene recycling.

2. Problem Statement

Industrial cumene production requires high selectivity to avoid diisopropylbenzene (DIPB) byproduct formation while maximizing energy efficiency in the benzene recovery column.

3. Objectives

1. Model fixed-bed catalytic alkylation and transalkylation reactors in Aspen Plus (RCSTR/RPlug). 2. Design a 3-column distillation sequence (Benzene Column, Cumene Column, DIPB Column). 3. Optimize recycle ratio to achieve 99.98 wt% cumene purity.

4. Simulation Setup & Thermodynamic Selection

Software Environment
Aspen Plus
Property Method / EOS
NRTL-RK

Aspen Plus rigorous simulation using NRTL-RK property package. Kinetic reaction rates incorporated for benzene-propylene alkylation and DIPB transalkylation over zeolite catalyst.

5. Process Flow & Reduction Chemistry

Aspen Plus rigorous simulation using NRTL-RK property package. Kinetic reaction rates incorporated for benzene-propylene alkylation and DIPB transalkylation over zeolite catalyst.

6. Model Input Variables & Boundary Conditions

ParameterValueUnitsEngineering Source
Operating PressureVariablebarProcess Specification
Feed Flow RateNominalkg/hSimulation Balance

8. Results & Findings

SIMULATION RESULTS: - Cumene Product Purity: 99.98 wt% - Benzene Recovery Rate: 99.4% recycled back to reactor inlet - Reboiler Heat Duty: 2.15 GJ / ton cumene produced.

9. Engineering Discussion & Trade-Off Analysis

Maintaining a 4.5:1 molar feed ratio of benzene to propylene in the reactor feed suppressed DIPB yield to under 2.1%, reducing heavy-ends separation duty significantly.

10. Financial Impact & Decision-Support Platform

Economic feasibility evaluations assess capital expenditures, operational utility consumption, and payback thresholds to validate commercial viability.

11. Environmental Impact & Decarbonization Value

Significant reductions in carbon emissions and fuel waste achieved through rigorous process simulation and heat integration.

12. Model Limitations & Scope Boundaries

Zeolite catalyst deactivation kinetics over extended operating cycles were modeled as pseudo-steady state.

13. Engineering Conclusions

Integrated reactor-recycle flowsheet simulation in Aspen Plus provides precise guidelines for high-purity petrochemical manufacturing.

14. Future Development & Digital Twin Integration

Dividing wall column (DWC) retrofit evaluation to merge Benzene and Cumene columns into a single shell.

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