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Question 16.2: Calculation of Initiator Required Calculate the amount of be......

Calculation of Initiator Required
Calculate the amount of benzoyl peroxide [(C_{6}H_{5}CO)_{2}O_{2}] initiator required to produce 1 kg of polyethylene with an average molecular weight of 200,000 g/mol. Each benzoyl peroxide molecule produces two free radicals that are each capable of initiating a polyethylene chain. Assume that 20% of the initiator is effective and that all termination occurs by the combination mechanism.

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One benzoyl peroxide molecule produces two free radicals that initiate two chains that then combine to form one polyethylene chain. Thus, there is a 1:1 ratio between benzoyl peroxide molecules and polyethylene chains. If the initiator were 100% effective, one molecule of benzoyl peroxide would be required per polyethylene chain.
To determine the amount of benzoyl peroxide required, the number of chains with an average molecular weight of 200,000 g/mol in 1 kg of polyethylene must be calculated.
The molecular weight of ethylene = (2 C atoms)(12 g/mol) + (4 H atoms) (1 g/mol) = 28 g/mol. The number of molecules per chain (also known as the degree of polymerization) is given by
\frac{200,000 \ g/mol}{28 \ g/mol} = 7143 ethylene molecules/chain
The total number of monomers required to form 1 kg of polyethylene is
\frac{(1000 \ g)(6.022 × 10^{23} \ \text{monomers}/\text{mol})}{28 \ g/\text{mol}} = 2.15 × 10^{25} monomers
Thus, the number of polyethylene chains in 1 kg is
\frac{2.15 × 10^{25} \ \text{ethylene molecules}}{7143 \ \text{ethylene molecules/chain}} = 3.0 × 10^{21} chains
Since the benzoyl peroxide initiator is only 20% effective, 5(3.0 × 10^{21})=1.5 × 10^{22} benzoyl peroxide molecules are required to initiate 3.0 × 10^{21} chains. The molecular weight of benzoyl peroxide is (14 C atoms)(12 g/mol) + (10 H atoms) (1 g/mol) + (4 O atoms)(16 g/mol) = 242 g/mol. Therefore, the amount of initiator required is
\frac{1.5 × 10^{22} \ \text{molecules}\ (242 g/\text{mol})}{6.022 × 10^{23} \ \text{molecules/mol}} = 6.0 \ g

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