Acrylonitrile

Molecular Structure

Molecular Details

Molecular Formula	CH₂=CHCN
Molecular Weight	53.06 g/mol
State	Liquid at standard conditions

Olefinverbund Integration

Chemistry & Engineering

Reaction Equation	C₃H₆ + NH₃ + 1.5 O₂ → C₃H₃N + 3H₂O (Sohio Process)
Thermodynamics	Highly exothermic ammoxidation
Catalyst System	Bismuth-Molybdates
Reactor Class	Fluidized bed to handle heat removal
Process Considerations	Key precursor to carbon fiber.

Extraterrestrial Production Pattern

1. Propylene + NH₃ + O₂ over Bi-Mo oxide catalyst
2. Operating at 400-510°C in fluidized bed reactor
3. Quenching and absorption in water
4. Distillation for purification

Applications

• Acrylic fibers (clothing, textiles)
• ABS and SAN plastics
• Nitrile butadiene rubber (NBR)
• Adiponitrile for nylon 6,6

Reaction Diagram

Overall Reaction: C3H6 + NH3 + 3/2 O2 -> C3H3N + 3H2O

Unit Operations

Process steps following chemical engineering unit operation principles:

Step	Operation	Description
1	Feed Mixing	Mix propylene, ammonia, and air
2	Ammoxidation	Fluidized-bed reactor with Bi-Mo catalyst at 400-510°C
3	Quenching	Cool effluent with dilute H₂SO₄ to neutralize NH₃
4	Absorption	Absorb acrylonitrile in water
5	Acetonitrile Recovery	Recover HCN and acetonitrile co-products
6	Purification	Distill to >99.5% acrylonitrile

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 Acrylonitrile -->
<!-- Educational schema - simplified for demonstration -->
<BatchML xmlns="http://www.wbf.org/xml/B2MML-V0600">
  
  <ProcessCell ID="ACRYLONITRILE_PLANT_CELL">
    <Description>Process cell for Acrylonitrile production</Description>
    
    <Unit ID="ACRYLONITRILE_PLANT">
      <Description>Main synthesis unit</Description>
      
      <!-- Equipment Modules -->
      <EquipmentModule ID="MIXER">
        <Description>Mixer</Description>
      </EquipmentModule>
      <EquipmentModule ID="REACTOR">
        <Description>Reactor</Description>
      </EquipmentModule>
      <EquipmentModule ID="QUENCH_COLUMN">
        <Description>Quench Column</Description>
      </EquipmentModule>
      <EquipmentModule ID="ABSORBER">
        <Description>Absorber</Description>
      </EquipmentModule>
      <EquipmentModule ID="RECOVERY_COLUMN">
        <Description>Recovery Column</Description>
      </EquipmentModule>
      <EquipmentModule ID="PRODUCT_COLUMN">
        <Description>Product Column</Description>
      </EquipmentModule>
    </Unit>
  </ProcessCell>
  
  <MasterRecipe ID="ACRYLONITRILE_PLANT_RECIPE">
    <Description>Master recipe for Acrylonitrile</Description>
    <ProductID>ACRYLONITRILE</ProductID>
    
    <UnitProcedure ID="ACRYLONITRILE_PLANT_UP">
      <Description>Unit procedure for synthesis</Description>
      
      <Operation ID="OP_01">
        <Description>Operation 1</Description>
        <Phase ID="MIX">
          <Description>Mix 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="AMMOXIDIZE">
          <Description>Ammoxidize 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="QUENCH">
          <Description>Quench 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="ABSORB">
          <Description>Absorb 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="RECOVER">
          <Description>Recover 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="PURIFY">
          <Description>Purify 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.