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APPENDIX 1

CALCULATION OF THE MOLAR RATIO

(METHANOL TO OIL)

The molar ratio (oil to methanol) for transesterification process is

calculated as follows.

Step1: Calculation of molecular weight of pure fatty acids

The molecular weight of pure fatty acids is calculated using

Equation (A1.1).

Molecular weight of fatty acids = N C MW C NH MW H NO MW O (A1.1)

Where, NC, NH, and NO are the number of carbon, hydrogen, and
oxygen atoms in the fatty acid chain, respectively. MWC, MWH, and MWO are
the molecular weight of carbon, hydrogen, and oxygen, which are 12.0107,
1.00794, and 15.9994 grams per mole, respectively.

Step 2: Calculation of molecular weight of vegetable oils

It can be noted that the fatty acid content of the oils almost
unchanged upon biodiesel conversion (Davis et al 2009). Molecular weight of
vegetable oil is calculated from the molecular weight of individual fatty acids
and fatty acid composition using Equation (A1.2).
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n
Molecular weight of vegetable oil Wi MWi (A1.2)
i 1

Where, W and MW are the weight percentage and molecular

weight (g/mol) of respective fatty acids present in the vegetable oil.

Using Equation (A1.1), the molecular weight of pure fatty acids is

calculated and given in Table A1.1. Similarly from Equation (A1.2), the
molecular weight of vegetable oil is calculated and given in Table A1.2.
A sample molecular weight calculation of vegetable is also given.

Table A1.1 Molecular weight of pure fatty acids

Chemical Number of Atoms Molecular weight of

Fatty acid
formula Carbon Hydrogen Oxygen fatty acid (g/mol)
Caprylic C8H16O2 8 16 2 144.21
Capric C10H20O2 10 20 2 172.26
Lauric C12H24O2 12 2 2 178.14
Myristic C14H28O2 14 28 2 228.37
Palmitic C16H32O2 16 32 2 256.42
Stearic C18H36O2 18 36 2 284.48
Oleic C18H34O2 18 34 2 282.46
Linoleic C18H32O2 18 32 2 280.45
Linolenic C18H30O2 18 30 2 278.43
Arachidic C20H40O2 20 40 2 312.53
Behanic C22H44O2 22 44 2 340.58
Lignoceric C24H48O2 24 48 2 368.64

Sample Molecular weight calculation (for Mahua vegetable oil):

The fatty acid composition (in weight %) of Mahua oil (from

Table 5.1) is 0.03% of Myristic acid, 24.16% of Palmitic acid, 25.80% of
Stearic acid, 37.20% of Oleic acid, and 12.80% of Linoleic acid. Substituting
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the weight percentage of fatty acids and their molecular weight (from
Table A1.1) in Equation (A1.2), the molecular weight of Mahua vegetable oil
is calculated is,

(0 .03 228 .37 ) ( 24 .16 256 . 42) ( 25 . 80 284 .48) (37 .20 282 .46 ) (12 .80 280 .45 )
100
276 . 39 g/mol.

Therefore, the molecular weight of Mahua vegetable oil = 276.39

g/mol. In a similar way, the molecular weight of the other vegetable oils are
calculated and given in Table A1.2.

Table A1.2 Molecular weight of vegetable oils

Vegetable oil Molecular weight (g/mol)

Coconut oil 200.52
Palm oil 269.91
Mahua oil 276.39
Neem oil 276.64
Karanja oil 281.11
Jatropha oil 278.01
Cottonseed oil 275.02
Rubber seed oil 278.02
Sunflower oil 279.50
Linseed oil 278.41

Step 3: Calculation of molecular weight of Triglyceride

The structure of any vegetable oil is a triglyceride, i.e. a glycerol

molecule attached with three fatty acids. In Step 2, the molecular weight of
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vegetable oil does not include molecular weight of glycerol. The calculation
of molecular weight of triglyceride is as follows.

Average of weight of each vegetable oil

3 Molecular weight of vegetable oil calculated from equation ( A1.2) (A1.3)

Where, the number “3” indicates that there are 3 fatty acids are
attached to the glycerol molecule.

The molecular weight of a triglyceride (MWtriglyceride) is given by

the Equation (A.14).

MW triglyceri de (3 Average MW oil ) MW glycerol - 3MW Water (A1.4)

Where, MWglycerol and MW water are the molecular weight of glycerol

and water, which are 92.0938 and 18.0153 grams per mole, respectively.
Using Equation (A1.4), the molecular weight of the triglyceride of the
vegetable oils are calculated and given in Table A1.3.

Table A1.3 Molecular weight of triglyceride of vegetable oils

Vegetable oil Molecular weight (g/mol)

Coconut oil 639.62
Palm oil 847.78
Mahua oil 867.21
Neem oil 867.96
Karanja oil 881.39
Jatropha oil 872.07
Cottonseed oil 863.10
Rubber seed oil 872.10
Sunflower oil 876.55
Linseed oil 873.29
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Step 4: Calculation of mole ratio of alcohol to oil

The number of moles per 1000 grams of oil can be calculated from
Equation (A1.5).

1000
Number of moles per 1000 grams of oil (A1.5)
Molecular weight of oil (g/mol)

The number moles of methanol required per 1000 grams of oil can
be calculated as follows.

For 3: 1 Molar ratio (Methanol to oil)

Number of moles of methanol required per 1000 grams oil for 3 : 1 methanol
(A1.6)
to oil ratio 3 (Number of moles of oil per 1000 grams of oil)

Therefore, the quantity of methanol in grams required for

transesterification per 1000 grams of vegetable oil

(Number of moles of methanol required per 1000 grams oil for 3 : 1 methanol
(A1.7)
to oil ratio Molecular weight of methanol)

For 6: 1 Molar ratio (Methanol to oil)

Number of moles of methanol required per 1000 grams oil for 6 : 1 methanol
(A1.8)
to oil ratio 6 (Number of moles of oil per 1000 grams of oil)

Therefore, the quantity of methanol in grams required for

transesterification per 1000 grams of vegetable oil

(Number of moles of methanol required per 1000 grams oil for 6 : 1 methanol
to oil ratio Molecular weight of methanol)

(A1.9)
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Where, the molecular weight of methanol = 32.04 grams per mole

Using Equations (A1.5), (A1.6), (A1.7), (A1.8), and (A1.9), and

inputs from Table A1.3, the number of moles and grams of methanol required
for the transesterification of per1000 grams of various vegetable oils are
calculated and given in Table A1.4.

Table 1.4 Number of moles and grams of methanol required for the
transesterification of 1000 grams of various vegetable oils

Methanol requirement for the

transesterification of 1000 g
oil

Triglyceride Molecular number Molecular Number moles grams of

weight of of moles weight of of methanol methanol
of triglyceride per 1000 methanol 3:1 6:1 3:1 6:1
vegetable oil (g/mol) g oil (g/mol) ratio, ratio, ratio, ratio,
from from from from
eqn. eqn. eqn. eqn.
(A1.6) (A1.8) (A1.7) (A1.9)
Coconut 639.62 1.5634 32.04 4.69 9.38 150.28 300.55
Palm 847.78 1.1795 32.04 3.54 7.08 113.38 226.76
Mahua 867.21 1.1531 32.04 3.46 6.92 110.84 221.68
Neem 867.96 1.1521 32.04 3.46 6.91 110.74 221.49
Karanja 881.39 1.1346 32.04 3.40 6.81 109.06 218.11
Jatropha 872.07 1.1467 32.04 3.44 6.88 110.22 220.44
Cotton seed 863.10 1.1586 32.04 3.48 6.95 111.37 222.73
Rubber seed 872.10 1.1467 32.04 3.44 6.88 110.22 220.43
Sunflower 876.55 1.1408 32.04 3.42 6.85 109.66 219.31
Linseed 873.29 1.1451 32.04 3.44 6.87 110.07 220.13