Vinyl Chloride

Molecular Structure

Molecular Details

Molecular Formula	CH₂=CHCl
Molecular Weight	62.50 g/mol
State	Gas at standard conditions

Olefinverbund Integration

Chemistry & Engineering

Reaction Equation	Direct Chlorination + Oxychlorination
Thermodynamics	Balanced process
Catalyst System	FeCl₃ (Direct), CuCl₂ (Oxy)
Reactor Class	Cracking Surface
Process Considerations	EDC intermediate cracked to VCM.

Extraterrestrial Production Pattern

1. Ethylene + Cl₂ → ethylene dichloride (EDC)
2. Ethylene + HCl + O₂ → EDC (oxychlorination)
3. EDC thermal cracking at 500°C → VCM + HCl
4. HCl recycled to oxychlorination step

Applications

• PVC plastic production
• Pipes and construction materials
• Wire and cable insulation
• Medical devices

Reaction Diagram

Overall Reaction: C2H4 + Cl2 -> C2H4Cl2 -> C2H3Cl + HCl

Unit Operations

Process steps following chemical engineering unit operation principles:

Step	Operation	Description
1	Direct Chlorination	C₂H₄ + Cl₂ → EDC at 50°C (liquid phase)
2	Oxychlorination	C₂H₄ + 2HCl + ½O₂ → EDC + H₂O
3	EDC Purification	Distill to remove water and heavy ends
4	EDC Cracking	Thermal cracking at 500°C → VCM + HCl
5	VCM Purification	Distill to >99.9% VCM
6	HCl Recovery	Return HCl to oxychlorination

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 Chloride -->
<!-- Educational schema - simplified for demonstration -->
<BatchML xmlns="http://www.wbf.org/xml/B2MML-V0600">
  
  <ProcessCell ID="VCM_PLANT_CELL">
    <Description>Process cell for Vinyl Chloride production</Description>
    
    <Unit ID="VCM_PLANT">
      <Description>Main synthesis unit</Description>
      
      <!-- Equipment Modules -->
      <EquipmentModule ID="CHLORINATOR">
        <Description>Chlorinator</Description>
      </EquipmentModule>
      <EquipmentModule ID="OXYCHLORINATOR">
        <Description>Oxychlorinator</Description>
      </EquipmentModule>
      <EquipmentModule ID="EDC_COLUMN">
        <Description>Edc Column</Description>
      </EquipmentModule>
      <EquipmentModule ID="CRACKER">
        <Description>Cracker</Description>
      </EquipmentModule>
      <EquipmentModule ID="VCM_COLUMN">
        <Description>Vcm Column</Description>
      </EquipmentModule>
      <EquipmentModule ID="HCL_SYSTEM">
        <Description>Hcl System</Description>
      </EquipmentModule>
    </Unit>
  </ProcessCell>
  
  <MasterRecipe ID="VCM_PLANT_RECIPE">
    <Description>Master recipe for Vinyl Chloride</Description>
    <ProductID>VINYL_CHLORIDE</ProductID>
    
    <UnitProcedure ID="VCM_PLANT_UP">
      <Description>Unit procedure for synthesis</Description>
      
      <Operation ID="OP_01">
        <Description>Operation 1</Description>
        <Phase ID="DIRECT_CHLOR">
          <Description>Direct Chlor 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="OXYCHLOR">
          <Description>Oxychlor 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="PURIFY_EDC">
          <Description>Purify Edc 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="CRACK">
          <Description>Crack 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="PURIFY_VCM">
          <Description>Purify Vcm 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="RECYCLE_HCL">
          <Description>Recycle Hcl 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.