Butanol

Molecular Structure

Molecular Details

Molecular Formula	C₄H₉OH
Molecular Weight	74.12 g/mol
State	Liquid at standard conditions

Olefinverbund Integration

Chemistry & Engineering

Reaction Equation	Propylene + CO + H₂ → Butyraldehyde → Butanol (Oxo Process)
Thermodynamics	Hydroformylation is exothermic
Catalyst System	Rhodium-phosphine complex (highly active/selective)
Reactor Class	Stirred tank or bubble column (liquid phase)
Process Considerations	Requires Syngas (CO/H2). Alternative: ABE fermentation if biomass is available.

Extraterrestrial Production Pattern

1. Hydroformylation of propylene with syngas (CO + H₂)
2. Cobalt or rhodium catalyst at 100-200°C
3. Hydrogenation of butyraldehyde intermediate
4. Distillation to separate n-butanol and isobutanol

Applications

• Solvent for paints and coatings
• Plasticizer alcohols (2-EH via aldol)
• Butyl acrylate production
• Fuel additive

Reaction Diagram

Overall Reaction: CO + 2H2 + C3H6 -> C4H9OH

Unit Operations

Process steps following chemical engineering unit operation principles:

Step	Operation	Description
1	Propylene Feed	Purify and compress propylene
2	Hydroformylation	Co or Rh catalyst at 100-180°C, 20-30 bar → butyraldehyde
3	Catalyst Separation	Recover catalyst from aldehyde product
4	Hydrogenation	Reduce aldehyde to alcohol with Ni catalyst
5	Distillation	Separate n-butanol from iso-butanol
6	Dehydration	Remove water by azeotropic distillation

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 Butanol -->
<!-- Educational schema - simplified for demonstration -->
<BatchML xmlns="http://www.wbf.org/xml/B2MML-V0600">
  
  <ProcessCell ID="BUTANOL_OXO_CELL">
    <Description>Process cell for Butanol production</Description>
    
    <Unit ID="BUTANOL_OXO">
      <Description>Main synthesis unit</Description>
      
      <!-- Equipment Modules -->
      <EquipmentModule ID="COMPRESSOR">
        <Description>Compressor</Description>
      </EquipmentModule>
      <EquipmentModule ID="OXO_REACTOR">
        <Description>Oxo Reactor</Description>
      </EquipmentModule>
      <EquipmentModule ID="SEPARATOR">
        <Description>Separator</Description>
      </EquipmentModule>
      <EquipmentModule ID="HYDROGENATOR">
        <Description>Hydrogenator</Description>
      </EquipmentModule>
      <EquipmentModule ID="COLUMN">
        <Description>Column</Description>
      </EquipmentModule>
      <EquipmentModule ID="DEHYDRATOR">
        <Description>Dehydrator</Description>
      </EquipmentModule>
    </Unit>
  </ProcessCell>
  
  <MasterRecipe ID="BUTANOL_OXO_RECIPE">
    <Description>Master recipe for Butanol</Description>
    <ProductID>BUTANOL</ProductID>
    
    <UnitProcedure ID="BUTANOL_OXO_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="HYDROFORMYLATE">
          <Description>Hydroformylate 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="RECOVER_CAT">
          <Description>Recover Cat 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="HYDROGENATE">
          <Description>Hydrogenate 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="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>
    </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.)

---

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