Chlorine

Molecular Structure

Molecular Details

Molecular Formula	Cl₂
Molecular Weight	70.90 g/mol
State	Gas at standard conditions

Olefinverbund Integration

Chemistry & Engineering

Reaction Equation	2NaCl + 2H₂O → Cl₂ + H₂ + 2NaOH
Thermodynamics	Electrolysis (Electrical Energy input)
Catalyst System	Dimensionally Stable Anodes (DSA)
Reactor Class	Membrane Cell Electrolyzer
Process Considerations	Energy intensive (approx 2500 kWh/ton). Co-produces Caustic Soda.

Extraterrestrial Production Pattern

1. Electrolysis of NaCl brine (membrane or diaphragm cell)
2. Anode reaction: 2Cl⁻ → Cl₂ + 2e⁻
3. Collection and compression of chlorine gas
4. Liquefaction for storage and transport

Applications

• Water and wastewater disinfection
• PVC production (via EDC and VCM)
• Bleaching agents (hypochlorite)
• Chlorinated solvents

Reaction Diagram

Overall Reaction: 2NaCl + 2H2O -> Cl2 + 2NaOH + H2

Unit Operations

Process steps following chemical engineering unit operation principles:

Step	Operation	Description
1	Brine Preparation	Dissolve NaCl to saturation, remove Ca/Mg
2	Electrolysis	Membrane cell at 2-4 V, 3-5 kA/m²
3	Chlorine Drying	Dry Cl₂ with H₂SO₄
4	Compression	Compress Cl₂ for liquefaction
5	Liquefaction	Cool to -35°C at 6-8 bar
6	Hydrogen Treatment	Purify H₂ for sale or fuel

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 Chlorine -->
<!-- Educational schema - simplified for demonstration -->
<BatchML xmlns="http://www.wbf.org/xml/B2MML-V0600">
  
  <ProcessCell ID="CHLOR_ALKALI_CELL">
    <Description>Process cell for Chlorine production</Description>
    
    <Unit ID="CHLOR_ALKALI">
      <Description>Main synthesis unit</Description>
      
      <!-- Equipment Modules -->
      <EquipmentModule ID="BRINE_TANK">
        <Description>Brine Tank</Description>
      </EquipmentModule>
      <EquipmentModule ID="ELECTROLYZER">
        <Description>Electrolyzer</Description>
      </EquipmentModule>
      <EquipmentModule ID="DRYER">
        <Description>Dryer</Description>
      </EquipmentModule>
      <EquipmentModule ID="COMPRESSOR">
        <Description>Compressor</Description>
      </EquipmentModule>
      <EquipmentModule ID="CONDENSER">
        <Description>Condenser</Description>
      </EquipmentModule>
      <EquipmentModule ID="H2_PURIFIER">
        <Description>H2 Purifier</Description>
      </EquipmentModule>
    </Unit>
  </ProcessCell>
  
  <MasterRecipe ID="CHLOR_ALKALI_RECIPE">
    <Description>Master recipe for Chlorine</Description>
    <ProductID>CHLORINE</ProductID>
    
    <UnitProcedure ID="CHLOR_ALKALI_UP">
      <Description>Unit procedure for synthesis</Description>
      
      <Operation ID="OP_01">
        <Description>Operation 1</Description>
        <Phase ID="BRINE_PREP">
          <Description>Brine Prep 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="ELECTROLYZE">
          <Description>Electrolyze 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="DRY">
          <Description>Dry 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="COMPRESS">
          <Description>Compress 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="LIQUEFY">
          <Description>Liquefy 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="H2_TREATMENT">
          <Description>H2 Treatment 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.