Cumene

Molecular Structure

Molecular Details

Molecular Formula	C₆H₅CH(CH₃)₂
Molecular Weight	120.19 g/mol
State	Liquid at standard conditions

Olefinverbund Integration

Chemistry & Engineering

Reaction Equation	C₆H₆ + C₃H₆ → C₆H₅CH(CH₃)₂
Thermodynamics	Exothermic (-113 kJ/mol)
Catalyst System	Solid Phosphoric Acid (SPA) or Zeolites (Beta, Y)
Reactor Class	Fixed bed reactor operating at 200-250°C, 20-40 bar
Process Considerations	Feedstock bond for the Hock process (Phenol/Acetone).

Extraterrestrial Production Pattern

1. Benzene + propylene → cumene
2. Solid phosphoric acid or zeolite catalyst
3. Vapor or liquid-phase process
4. Distillation to remove di-isopropylbenzene

Applications

• Phenol and acetone production (cumene process)
• Aviation fuel component
• Solvent

Reaction Diagram

Overall Reaction: C6H6 + C3H6 -> C6H5CH(CH3)2

Unit Operations

Process steps following chemical engineering unit operation principles:

Step	Operation	Description
1	Benzene/Propylene Feed	Pump and vaporize reactants
2	Alkylation	Zeolite or H₃PO₄/SiO₂ catalyst at 200-250°C
3	Transalkylation	Convert DIPB to cumene with benzene
4	Benzene Column	Recover unreacted benzene
5	Cumene Column	Distill cumene product
6	DIPB Column	Recover diisopropylbenzene for recycle

S88 Batch Control Model

This module follows the ISA-88 (S88) batch control standard. Below is a simplified BatchML schema for educational purposes:

<?xml version="1.0" encoding="UTF-8"?>
<!-- ISA-88 Batch Control Model for Cumene -->
<!-- Educational schema - simplified for demonstration -->
<BatchML xmlns="http://www.wbf.org/xml/B2MML-V0600">
  
  <ProcessCell ID="CUMENE_PLANT_CELL">
    <Description>Process cell for Cumene production</Description>
    
    <Unit ID="CUMENE_PLANT">
      <Description>Main synthesis unit</Description>
      
      <!-- Equipment Modules -->
      <EquipmentModule ID="VAPORIZER">
        <Description>Vaporizer</Description>
      </EquipmentModule>
      <EquipmentModule ID="ALKYLATION_REACTOR">
        <Description>Alkylation Reactor</Description>
      </EquipmentModule>
      <EquipmentModule ID="TRANSALKYLATION_REACTOR">
        <Description>Transalkylation Reactor</Description>
      </EquipmentModule>
      <EquipmentModule ID="BENZENE_COLUMN">
        <Description>Benzene Column</Description>
      </EquipmentModule>
      <EquipmentModule ID="CUMENE_COLUMN">
        <Description>Cumene Column</Description>
      </EquipmentModule>
      <EquipmentModule ID="DIPB_COLUMN">
        <Description>Dipb Column</Description>
      </EquipmentModule>
    </Unit>
  </ProcessCell>
  
  <MasterRecipe ID="CUMENE_PLANT_RECIPE">
    <Description>Master recipe for Cumene</Description>
    <ProductID>CUMENE</ProductID>
    
    <UnitProcedure ID="CUMENE_PLANT_UP">
      <Description>Unit procedure for synthesis</Description>
      
      <Operation ID="OP_01">
        <Description>Operation 1</Description>
        <Phase ID="FEED">
          <Description>Feed phase</Description>
          <PhaseLogic>
            <Step ID="STEP_1"><Action>Initialize</Action></Step>
            <Step ID="STEP_2"><Action>Execute</Action></Step>
            <Step ID="STEP_3"><Action>Complete</Action></Step>
          </PhaseLogic>
        </Phase>
      </Operation>
      
      <Operation ID="OP_02">
        <Description>Operation 2</Description>
        <Phase ID="ALKYLATE">
          <Description>Alkylate phase</Description>
          <PhaseLogic>
            <Step ID="STEP_1"><Action>Initialize</Action></Step>
            <Step ID="STEP_2"><Action>Execute</Action></Step>
            <Step ID="STEP_3"><Action>Complete</Action></Step>
          </PhaseLogic>
        </Phase>
      </Operation>
      
      <Operation ID="OP_03">
        <Description>Operation 3</Description>
        <Phase ID="TRANSALKYLATE">
          <Description>Transalkylate phase</Description>
          <PhaseLogic>
            <Step ID="STEP_1"><Action>Initialize</Action></Step>
            <Step ID="STEP_2"><Action>Execute</Action></Step>
            <Step ID="STEP_3"><Action>Complete</Action></Step>
          </PhaseLogic>
        </Phase>
      </Operation>
      
      <Operation ID="OP_04">
        <Description>Operation 4</Description>
        <Phase ID="BENZENE_REC">
          <Description>Benzene Rec phase</Description>
          <PhaseLogic>
            <Step ID="STEP_1"><Action>Initialize</Action></Step>
            <Step ID="STEP_2"><Action>Execute</Action></Step>
            <Step ID="STEP_3"><Action>Complete</Action></Step>
          </PhaseLogic>
        </Phase>
      </Operation>
      
      <Operation ID="OP_05">
        <Description>Operation 5</Description>
        <Phase ID="CUMENE_DIST">
          <Description>Cumene Dist phase</Description>
          <PhaseLogic>
            <Step ID="STEP_1"><Action>Initialize</Action></Step>
            <Step ID="STEP_2"><Action>Execute</Action></Step>
            <Step ID="STEP_3"><Action>Complete</Action></Step>
          </PhaseLogic>
        </Phase>
      </Operation>
      
      <Operation ID="OP_06">
        <Description>Operation 6</Description>
        <Phase ID="DIPB_REC">
          <Description>Dipb Rec phase</Description>
          <PhaseLogic>
            <Step ID="STEP_1"><Action>Initialize</Action></Step>
            <Step ID="STEP_2"><Action>Execute</Action></Step>
            <Step ID="STEP_3"><Action>Complete</Action></Step>
          </PhaseLogic>
        </Phase>
      </Operation>
    </UnitProcedure>
  </MasterRecipe>
  
</BatchML>

**Key S88 Concepts:**
- **Process Cell**: The physical grouping containing all equipment for this process
- **Unit**: The major equipment that performs the synthesis
- **Equipment Modules**: Individual pieces of equipment (reactors, columns, etc.)
- **Unit Procedure**: The sequence of operations to produce the product
- **Phases**: The lowest level of procedural control (e.g., REACT, SEPARATE, PURIFY)

Key S88 Concepts:
• Process Cell: Physical grouping containing all equipment
• Unit: Major equipment performing synthesis
• Equipment Modules: Individual pieces (reactors, columns, etc.)
• Phases: Lowest level of procedural control (REACT, SEPARATE, etc.)

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This Synthesis Module is part of the 100chemicals Olefinverbund — an integrated chemical production network designed for extraterrestrial civilization on Moon and Mars.