Diethanolamine

Molecular Structure

Molecular Details

Molecular Formula	(HOCH₂CH₂)₂NH
Molecular Weight	105.14 g/mol
State	Liquid at standard conditions

Olefinverbund Integration

Chemistry & Engineering

Reaction Equation	2 EO + NH₃ → DEA
Thermodynamics	Exothermic
Catalyst System	None (or Water)
Reactor Class	Tubular reactor
Process Considerations	Produced in mixture with MEA/TEA.

Extraterrestrial Production Pattern

1. Ethylene oxide + NH₃ reaction (higher EO:NH₃ ratio)
2. Separation from MEA and TEA by distillation
3. Operating at moderate temperature and pressure
4. Purification to remove color bodies

Applications

• Gas treating (CO₂/H₂S absorption)
• Cosmetics ingredient
• Herbicide formulations
• Corrosion inhibitor

Reaction Diagram

Overall Reaction: C2H4O + NH3 -> HOCH2CH2NH2 (+ higher ethanolamines)

Unit Operations

Process steps following chemical engineering unit operation principles:

Step	Operation	Description
1	EO/NH₃ Mixing	Mix ethylene oxide with excess ammonia
2	Amination	React at 40-100°C, 30-150 bar
3	Ammonia Removal	Flash and distill to remove NH₃
4	MEA Column	Distill to separate monoethanolamine
5	DEA Column	Distill to separate diethanolamine
6	TEA Recovery	Recover triethanolamine residue

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 Diethanolamine -->
<!-- Educational schema - simplified for demonstration -->
<BatchML xmlns="http://www.wbf.org/xml/B2MML-V0600">
  
  <ProcessCell ID="DEA_PLANT_CELL">
    <Description>Process cell for Diethanolamine production</Description>
    
    <Unit ID="DEA_PLANT">
      <Description>Main synthesis unit</Description>
      
      <!-- Equipment Modules -->
      <EquipmentModule ID="MIXER">
        <Description>Mixer</Description>
      </EquipmentModule>
      <EquipmentModule ID="REACTOR">
        <Description>Reactor</Description>
      </EquipmentModule>
      <EquipmentModule ID="FLASH_DRUM">
        <Description>Flash Drum</Description>
      </EquipmentModule>
      <EquipmentModule ID="MEA_COLUMN">
        <Description>Mea Column</Description>
      </EquipmentModule>
      <EquipmentModule ID="DEA_COLUMN">
        <Description>Dea Column</Description>
      </EquipmentModule>
      <EquipmentModule ID="TEA_COLUMN">
        <Description>Tea Column</Description>
      </EquipmentModule>
    </Unit>
  </ProcessCell>
  
  <MasterRecipe ID="DEA_PLANT_RECIPE">
    <Description>Master recipe for Diethanolamine</Description>
    <ProductID>DIETHANOLAMINE</ProductID>
    
    <UnitProcedure ID="DEA_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="AMINATE">
          <Description>Aminate 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="REMOVE_NH3">
          <Description>Remove Nh3 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="MEA_DISTILL">
          <Description>Mea 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_05">
        <Description>Operation 5</Description>
        <Phase ID="DEA_DISTILL">
          <Description>Dea 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="TEA_RECOVER">
          <Description>Tea 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>
    </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.