Acetone

Molecular Structure

Molecular Details

Molecular Formula	(CH₃)₂CO
Molecular Weight	58.08 g/mol
State	Liquid at standard conditions

Olefinverbund Integration

Chemistry & Engineering

Reaction Equation	Direct Dehydrogenation of IPA or Cumene Oxidation byproduct
Thermodynamics	Dehydrogenation is endothermic
Catalyst System	Copper/Zinc or supported Platinum
Reactor Class	Fixed bed multitubular
Process Considerations	Universal solvent and cleaning agent.

Extraterrestrial Production Pattern

1. Dehydrogenation of isopropanol over ZnO/Cu catalyst at 400-500°C
2. Alternative: Cumene process co-product with phenol
3. Direct fermentation routes possible
4. Distillation for purification

Applications

• Solvent for plastics and fibers
• Methyl methacrylate (MMA) production
• Bisphenol A synthesis
• Nail polish remover and cleaning agent

Reaction Diagram

Overall Reaction: C6H5CH(CH3)2 + O2 -> C6H5OH + CH3COCH3

Unit Operations

Process steps following chemical engineering unit operation principles:

Step	Operation	Description
1	Cumene Oxidation	Air oxidation at 80-130°C to form cumene hydroperoxide
2	CHP Concentration	Concentrate hydroperoxide to 80%
3	Acid Cleavage	H₂SO₄ catalyzed decomposition at 60-80°C
4	Neutralization	Neutralize acid catalyst
5	Acetone Distillation	Distill to separate acetone from phenol
6	Product Finishing	Final purification to >99.5%

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 Acetone -->
<!-- Educational schema - simplified for demonstration -->
<BatchML xmlns="http://www.wbf.org/xml/B2MML-V0600">
  
  <ProcessCell ID="ACETONE_CUMENE_CELL">
    <Description>Process cell for Acetone production</Description>
    
    <Unit ID="ACETONE_CUMENE">
      <Description>Main synthesis unit</Description>
      
      <!-- Equipment Modules -->
      <EquipmentModule ID="OXIDIZER">
        <Description>Oxidizer</Description>
      </EquipmentModule>
      <EquipmentModule ID="CONCENTRATOR">
        <Description>Concentrator</Description>
      </EquipmentModule>
      <EquipmentModule ID="CLEAVAGE_REACTOR">
        <Description>Cleavage Reactor</Description>
      </EquipmentModule>
      <EquipmentModule ID="NEUTRALIZER">
        <Description>Neutralizer</Description>
      </EquipmentModule>
      <EquipmentModule ID="COLUMN">
        <Description>Column</Description>
      </EquipmentModule>
      <EquipmentModule ID="PRODUCT_TANK">
        <Description>Product Tank</Description>
      </EquipmentModule>
    </Unit>
  </ProcessCell>
  
  <MasterRecipe ID="ACETONE_CUMENE_RECIPE">
    <Description>Master recipe for Acetone</Description>
    <ProductID>ACETONE</ProductID>
    
    <UnitProcedure ID="ACETONE_CUMENE_UP">
      <Description>Unit procedure for synthesis</Description>
      
      <Operation ID="OP_01">
        <Description>Operation 1</Description>
        <Phase ID="OXIDIZE">
          <Description>Oxidize 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="CONCENTRATE">
          <Description>Concentrate 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="CLEAVE">
          <Description>Cleave 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="NEUTRALIZE">
          <Description>Neutralize 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="DISTILL">
          <Description>Distill 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="FINISH">
          <Description>Finish 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.