Reaction Formula Guidance

Reaction Material: When the starting components do not equal the final chemical composition. Examples: Polymers, Salts, Acid – Base Neutralization, Evaporations, Etc.

Requirements in Albert for reaction formulas:

  • Scientists must know what chemicals react and the CAS# the reaction will form.
  • Scientists must know the conversion yield of reaction.

Reaction Material Formula Process:

  1. Generate a pre-reaction formula within your project.
    1. This formula can contain monomers, solvent, polyols, etc.
  2. Create an additional formula to represent the post reaction formula and adjust the formula to represent the post reaction materials along with the additives.
    1. A new inventory item may* need to be created to represent the post reaction material (polymer, salt, etc.)
    2. For any known residual, it is possible to have remaining monomer, reactive material in your post reaction. 
  3. Name or tags could* be used to help identify pre and post reaction formulas.

Example in Albert: Polyol + Diisocyanate = Polyurethane

  • P043-005 (Polyurethane Pre-Reaction) is the Pre-reaction formula.
  • P043-006 (Polyurethane Post-Reaction) is the Post-reaction formula.

Worksheet View:

Screenshot 2023-09-19 at 2.36.42 PM.png

Polyurethane Material:

Screenshot 2023-09-19 at 2.39.54 PM.png

Best Practices:

  • Batch tasks are created with the Pre-Reaction Formula.
  • SDS and Hazard Assessment is done from the Post-Reaction Formula.
  • If unsure of reaction CAS#, collaborate with internal Product Safety & Regulatory Affairs Team for guidance.
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