Vinyl Acetate

Molecular Structure

Molecular Details

Molecular Formula	CH₃COOCH=CH₂
Molecular Weight	86.09 g/mol
State	Liquid at standard conditions

Olefinverbund Integration

Chemistry & Engineering

Reaction Equation	C₂H₄ + CH₃COOH + 0.5 O₂ → VAM + H₂O
Thermodynamics	Exothermic acetoxylation
Catalyst System	Palladium-Gold on Silica
Reactor Class	Fixed bed gas phase
Process Considerations	Critical monomer for adhesives.

Extraterrestrial Production Pattern

1. Gas-phase reaction: ethylene + acetic acid + O₂
2. Pd/Au on silica catalyst at 150-200°C
3. Fixed-bed reactor with steam dilution
4. Distillation and inhibitor addition

Applications

• Polyvinyl acetate (PVA) adhesives
• Polyvinyl alcohol (PVOH) films
• Ethylene-vinyl acetate (EVA) copolymers
• Coatings and paints

Reaction Diagram

Overall Reaction: C2H4 + CH3COOH + 1/2 O2 -> CH3COOCH=CH2 + H2O

Unit Operations

Process steps following chemical engineering unit operation principles:

Step	Operation	Description
1	Feed Mixing	Mix ethylene, acetic acid, and oxygen
2	Oxidative Acetoxylation	Pd catalyst at 150-200°C, 5-10 bar
3	Separation	Separate VAM from reactor effluent
4	Acetic Acid Recovery	Recover unreacted acetic acid
5	Distillation	Distill to >99.9% VAM
6	Stabilization	Add hydroquinone inhibitor

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 Vinyl Acetate -->
<!-- Educational schema - simplified for demonstration -->
<BatchML xmlns="http://www.wbf.org/xml/B2MML-V0600">
  
  <ProcessCell ID="VAM_PLANT_CELL">
    <Description>Process cell for Vinyl Acetate production</Description>
    
    <Unit ID="VAM_PLANT">
      <Description>Main synthesis unit</Description>
      
      <!-- Equipment Modules -->
      <EquipmentModule ID="MIXER">
        <Description>Mixer</Description>
      </EquipmentModule>
      <EquipmentModule ID="REACTOR">
        <Description>Reactor</Description>
      </EquipmentModule>
      <EquipmentModule ID="SEPARATOR">
        <Description>Separator</Description>
      </EquipmentModule>
      <EquipmentModule ID="AA_COLUMN">
        <Description>Aa Column</Description>
      </EquipmentModule>
      <EquipmentModule ID="VAM_COLUMN">
        <Description>Vam Column</Description>
      </EquipmentModule>
      <EquipmentModule ID="INHIBITOR_SYSTEM">
        <Description>Inhibitor System</Description>
      </EquipmentModule>
    </Unit>
  </ProcessCell>
  
  <MasterRecipe ID="VAM_PLANT_RECIPE">
    <Description>Master recipe for Vinyl Acetate</Description>
    <ProductID>VINYL_ACETATE</ProductID>
    
    <UnitProcedure ID="VAM_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="REACT">
          <Description>React 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="SEPARATE">
          <Description>Separate 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="RECOVER_AA">
          <Description>Recover Aa 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="STABILIZE">
          <Description>Stabilize 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.