Cumene

C₆H₅CH(CH₃)₂  ·  120.19 g/mol

C₆H₅CH(CH₃)₂

Intermediate for phenol and acetone production

Molecular Weight
120.19 g/mol
State
Liquid
Catalyst
Solid Phosphoric Acid (S
Reactor
Fixed bed reactor operat
Cumene molecular structure
2D structure

Olefinverbund Integration

Product
Cumene
Outputs

Chemistry & Engineering

ReactionC₆H₆ + C₃H₆ → C₆H₅CH(CH₃)₂
ThermodynamicsExothermic (-113 kJ/mol)
CatalystSolid Phosphoric Acid (SPA) or Zeolites (Beta, Y)
Reactor classFixed bed reactor operating at 200-250°C, 20-40 bar
NoteFeedstock bond for the Hock process (Phenol/Acetone).

Applications

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

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

Reaction Diagram

C6H6 + C3H6 -> C6H5CH(CH3)2

Unit Operations

Process steps following chemical engineering unit operation principles

#OperationDescription
1Benzene/Propylene FeedPump and vaporize reactants
2AlkylationZeolite or H₃PO₄/SiO₂ catalyst at 200-250°C
3TransalkylationConvert DIPB to cumene with benzene
4Benzene ColumnRecover unreacted benzene
5Cumene ColumnDistill cumene product
6DIPB ColumnRecover diisopropylbenzene for recycle

S88 Batch Control Model

ISA-88 BatchML schema — simplified 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>
Process CellPhysical grouping of all production equipment
UnitMajor equipment performing the synthesis
Equipment ModulesIndividual devices: reactors, columns, absorbers
PhasesLowest control level: REACT, SEPARATE, PURIFY

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