Isopropanol

Molecular Structure

Molecular Details

Molecular Formula	C₃H₇OH ((CH₃)₂CHOH)
Molecular Weight	60.10 g/mol
State	Liquid at standard conditions

Olefinverbund Integration

Chemistry & Engineering

Reaction Equation	C₃H₆ + H₂O → (CH₃)₂CHOH
Thermodynamics	Exothermic hydration
Catalyst System	Acidic ion-exchange resin or zeolite
Reactor Class	Trickle bed reactor (mixed phase)
Process Considerations	Major route to Acetone via dehydrogenation if Phenol route (Cumene) is not active.

Extraterrestrial Production Pattern

1. Direct hydration of propylene over acidic catalyst
2. Sulfuric acid process (indirect) as alternative
3. Operating at 150-200°C and moderate pressure
4. Distillation for purification

Applications

• Cleaning and degreasing solvent
• Medical disinfectant
• Acetone production (dehydrogenation)
• Electronics cleaning

Reaction Diagram

Overall Reaction: C3H6 + H2O -> (CH3)2CHOH

Unit Operations

Process steps following chemical engineering unit operation principles:

Step	Operation	Description
1	Propylene Hydration	H₂SO₄ or solid acid at 150-250°C, 25-80 bar
2	Neutralization	Neutralize if using H₂SO₄ process
3	Distillation	Distill to azeotrope (87.4%)
4	Dehydration	Molecular sieve or extractive distillation
5	Product Finishing	Final column to >99.5% IPA
6	Storage	Store in aluminum or SS tanks

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 Isopropanol -->
<!-- Educational schema - simplified for demonstration -->
<BatchML xmlns="http://www.wbf.org/xml/B2MML-V0600">
  
  <ProcessCell ID="IPA_PLANT_CELL">
    <Description>Process cell for Isopropanol production</Description>
    
    <Unit ID="IPA_PLANT">
      <Description>Main synthesis unit</Description>
      
      <!-- Equipment Modules -->
      <EquipmentModule ID="REACTOR">
        <Description>Reactor</Description>
      </EquipmentModule>
      <EquipmentModule ID="NEUTRALIZER">
        <Description>Neutralizer</Description>
      </EquipmentModule>
      <EquipmentModule ID="COLUMN_1">
        <Description>Column 1</Description>
      </EquipmentModule>
      <EquipmentModule ID="DEHYDRATOR">
        <Description>Dehydrator</Description>
      </EquipmentModule>
      <EquipmentModule ID="COLUMN_2">
        <Description>Column 2</Description>
      </EquipmentModule>
      <EquipmentModule ID="STORAGE">
        <Description>Storage</Description>
      </EquipmentModule>
    </Unit>
  </ProcessCell>
  
  <MasterRecipe ID="IPA_PLANT_RECIPE">
    <Description>Master recipe for Isopropanol</Description>
    <ProductID>ISOPROPANOL</ProductID>
    
    <UnitProcedure ID="IPA_PLANT_UP">
      <Description>Unit procedure for synthesis</Description>
      
      <Operation ID="OP_01">
        <Description>Operation 1</Description>
        <Phase ID="HYDRATE">
          <Description>Hydrate 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="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_03">
        <Description>Operation 3</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_04">
        <Description>Operation 4</Description>
        <Phase ID="DEHYDRATE">
          <Description>Dehydrate 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="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>
      
      <Operation ID="OP_06">
        <Description>Operation 6</Description>
        <Phase ID="STORE">
          <Description>Store 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.