Polyether Polyols

-Δ
Initiator + Organic Epoxide Polyether Polyol
KOH

Ethylene OH
Glycol Diol
OH Propylene Oxide (PO)
H
OH
Water
H OH

OH
1,2 Propylene
Glycol OH
EO//PO sequence as well
as end groups can vary
Ethylene Oxide (EO)
OH
Glycerine Triol
OH
OH
OH

Trimethylol- OH
OH
propane EVONIK
OH PU FOAM
OH
ACADEMY
OH

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April 2015 Foam Academy DMC catalyst : Double Metal Cyanaide catalyst like zinc hexacyanocobaltate
 Polyol
Characterization
Molecular weight
Average Molecular weight of the polyol
in g/mol

Examples standard polyol 3500 g/mol, HR polyol 5000 – 6000 g/mol

Polarity
The ratio between EO and PO. EO units are hydrophilic, PO units
hydrophobic

Unit: % EO or % PO in the monomer feed / in the overall polymer

Reactivity
The ratio between EO and PO end groups. A EO end unit results in a
primary OH group which is high reactive, a PO end unit results in a
secundary OH group which is low reactive.

Unit: % EO or % PO end groups

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Polyol Characterization
Functionality

Average number of isocyanate reactive groups per molecule.

Determined by the number of OH-groups of the initiator.
OH

Example: Glycerine started polyether have a OH

functionality of 3 OH

Hydroxyl number (OH-N.)

Measure of the number of reactive OH-groups available for the
reaction

The higher the functionality and the lower the molecular weight, the
higher the OH number

Unit: mg KOH / g sample

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 Calculation OH Number

The OH number is defined by the amount of KOH which has the same
number of OH-groups than the polyol.

It is measured in mgKOH/gpolyol

Calculation for a OH functional substance of known structure:

 Excel File

EVONIK
PU FOAM
ACADEMY

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Differences in Used Polyols for
Conventional Slabstock & HR Foam

Conventional Flexible HR Slabstock

Standard Slabstock

Base Polyol • Low reactive • High reactive

(end groups: secondary OH-groups) (end groups: primary OH-groups)

• 92 % Propylene oxide, 8% Ethylene

oxide (homo type)

• 88% Propylene oxide, 12 % Ethylene

oxide (hetero type)

Molecular Weight
3 000 – 4 000 4 500 – 6 500
(g/mol)

Polymer Polyol Optional Almost always

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 Polyol
Characterization
Flexible foam polyols:

Standard hetero Standard homo

polyether polyol polyether polyol

- OH number: 47 mgKOH/g - OH number: 56 mgKOH/g

- functionality = 3 - functionality = 3
- good emulsification - worse compatibility
- finer cell structure - coarser cell structure
- low reactive - ideal for box foaming
- Mn = 3500 g/mol - better FR properties
- low reactive
- Mn = 3000 g/mol

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 Isocyanates:
Toluene Diisocyanate (TDI)

1 1
2 6 2
2,4 Isomer 3
2,6 Isomer
5 3
4 4

TDI 80 TDI 65
20 % 2,6-Isomer 35 % 2,6-Isomer
80 % 2,4-Isomer 65 % 2,4-Isomer

More reactive Less reactive

Used to open the foam
Ether Slabstock --
HR Slabstock HR Slabstock (in combination with T80)
Ester Slabstock Ester Slabstock EVONIK
PU FOAM
TDI 80 Visco Slabstock TDI 65 Visco Slabstock ACADEMY

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 Isocyantes: Diphenylmethane
Diisocyanate (MDI)

4‘ 4‘ 4‘
5‘ 3‘ 4‘ 3‘ 5‘ 3‘
6‘ 2‘ 5‘ 2‘ 6‘ 2‘
1‘ 1‘ 1‘

1 1 1
6 2 6 2 6 2

5 3 5 3 5 3
4 4 4

4,4´ MDI 2,4´ MDI 2,2´ MDI "Polymeric MDI"

– Mixture with average functionality: 2.1 to 3.2

– MDI is more reactive than TDI
– MDI is providing stronger chemical stabilization EVONIK
PU FOAM
→ less physical stabilization is required ACADEMY

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 Isocyantes:
Diphenylmethane Diisocyanate (MDI)

Typical
composition
in „crude“ MDI

EVONIK
PU FOAM
ACADEMY

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PUPU Foam
Foam Academy
Academy
R. Herrington, K. Hock, Flexible Polyurethane Foams, Dow Chemical Company, 1997
 Index Calculation

Importance of the index

• foam defects
• safety (fire)
• efficiency of foam production
• getting the right mechanical properties

It is EXTREMELY important to calculate the index before running a new formulation!

EVONIK
PU FOAM
ACADEMY

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 Index Calculation

The "Index" is a number to characterize the ratio between isocyanate groups

and groups reactive with isocyanate.

It is an important number for everybody involved in polyurethanes.

Isocyanate amount used

Index = 100
Isocyanate amount calculated for equivalence

The concept of equivalent weights:

For example: molecular mass

equivalent weight =
functionality
X g of component A is equivalent to
Y g of component B EVONIK
PU FOAM
ACADEMY

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 Index Calculation
Calculation Equivalent Weights
Isocyanates
molecular mass 42  100 (42 g/mol is the molecular
equivalent weight isocyanate = = mass of the NCO group)
functionality % NCO

Polyol
molecular mass 56 1000 (56 g/mol is the
equivalent weight polyol = = molecular mass
functionality OH number of KOH)

Water
molecular mass 18 g
equivalent weightwater = = =9 g
funtionality 2

Carboxylic acids
molecular mass 56 1000 (56 g/mol is the
equivalent weightcarboxylicacids = = molecular mass
functionality acid number of KOH)

Amin EVONIK
molecular mass 56 1000 (56 g/mol is the PU FOAM
equivalent weightamine = = molecular mass ACADEMY
functionality amine number of KOH)

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Index Calculation
Example

Formulation Equivalent weight

100.0 pphp Polyol, OH number 47 mgKOH/g 1191 g
4.0 pphp water 9g
Various amounts stabilizer, catalysts not considered
? pphp TDI 80 (NCO content = 48 %) <110> 87.5 g

This means:
1 191 g polyol is equivalent to 87.5 g isocyanate
9 g of water is equivalent to 87.5 g of isocyanate

➢ 7.35 pphp of isocyanate are necessary for 100 pphp of polyol.

➢ 38.9 pphp of isocyanate are necessary for 4 pphp of water.
➢ In total 46.2 pphp of isocyanate are necessary for equivalence.
➢ 50.9 pphp of isocyanate are used which is an excess of 10 %, Index is <110>.

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 Index Calculation by TDI Increments

Increments: amount of TDI required for 1 pphp raw material for equivalence:

Polyol, OH-number 47 mgKOH/g: 0,0735 pphp TDI / pphp

Polyol, OH number 56 mgKOH/g: 0,0875 pphp TDI / pphp
Water: 9,72 pphp TDI / pphp

Formulation Calculation
100.0 pphp Polyol, OH number 47 mgKOH/g 100 pphp * 0,0735pphp TDI/ pphp = 7,35 pphp TDI
4.0 pphp water 4 pphp * 9,72 pphp TDI/ pphp = 38,88 pphp TDI
Various amounts stabilizer, catalysts not considered
50.9 pphp TDI 80 <110> (7,35 pphp TDI + 38,88 pphp TDI )*110/100 =
= 50,9 pphp TDI

EVONIK
- Increments are just valid for TDI! PU FOAM
- Calculation by using the equivalent weights ACADEMY

April 2015 | Evonik PU Foam Academy