Cyclohexane

Molecular Structure

Molecular Details

Molecular Formula	C₆H₁₂
Molecular Weight	84.16 g/mol
State	Liquid at standard conditions

Olefinverbund Integration

Chemistry & Engineering

Reaction Equation	C₆H₆ + 3H₂ → C₆H₁₂
Thermodynamics	Exothermic hydrogenation
Catalyst System	Nickel or Platinum
Reactor Class	Liquid phase or Vapor phase fixed bed
Process Considerations	High purity required for Nylon chain.

Extraterrestrial Production Pattern

1. Benzene + 3H₂ → cyclohexane (catalytic hydrogenation)
2. Ni or Pt catalyst at 150-250°C and 10-30 bar
3. Highly exothermic reaction
4. High purity required for nylon applications

Applications

• Adipic acid production (for nylon 6,6)
• Caprolactam production (for nylon 6)
• Industrial solvent
• Paint and varnish solvent

Reaction Diagram

Overall Reaction: C6H6 + 3H2 -> C6H12

Unit Operations

Process steps following chemical engineering unit operation principles:

Step	Operation	Description
1	Benzene Purification	Remove thiophene and other impurities
2	Hydrogenation	Ni or Pt catalyst at 150-250°C, 10-30 bar
3	Heat Recovery	Cool product against feed
4	Flash Separation	Flash to remove light gases
5	Distillation	Distill to >99.9% cyclohexane
6	Storage	Store under nitrogen blanket

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 Cyclohexane -->
<!-- Educational schema - simplified for demonstration -->
<BatchML xmlns="http://www.wbf.org/xml/B2MML-V0600">
  
  <ProcessCell ID="CYCLOHEXANE_PLANT_CELL">
    <Description>Process cell for Cyclohexane production</Description>
    
    <Unit ID="CYCLOHEXANE_PLANT">
      <Description>Main synthesis unit</Description>
      
      <!-- Equipment Modules -->
      <EquipmentModule ID="PURIFIER">
        <Description>Purifier</Description>
      </EquipmentModule>
      <EquipmentModule ID="REACTOR">
        <Description>Reactor</Description>
      </EquipmentModule>
      <EquipmentModule ID="EXCHANGER">
        <Description>Exchanger</Description>
      </EquipmentModule>
      <EquipmentModule ID="FLASH_DRUM">
        <Description>Flash Drum</Description>
      </EquipmentModule>
      <EquipmentModule ID="COLUMN">
        <Description>Column</Description>
      </EquipmentModule>
      <EquipmentModule ID="STORAGE">
        <Description>Storage</Description>
      </EquipmentModule>
    </Unit>
  </ProcessCell>
  
  <MasterRecipe ID="CYCLOHEXANE_PLANT_RECIPE">
    <Description>Master recipe for Cyclohexane</Description>
    <ProductID>CYCLOHEXANE</ProductID>
    
    <UnitProcedure ID="CYCLOHEXANE_PLANT_UP">
      <Description>Unit procedure for synthesis</Description>
      
      <Operation ID="OP_01">
        <Description>Operation 1</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>
      
      <Operation ID="OP_02">
        <Description>Operation 2</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_03">
        <Description>Operation 3</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_04">
        <Description>Operation 4</Description>
        <Phase ID="FLASH">
          <Description>Flash 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="STORE">
          <Description>Store 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.