APPENDIX 1 CALCULATION OF THE MOLAR RATIO (METHANOL TO OIL)
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1 243 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 Equation (A1.1). The molecular weight of pure fatty acids is calculated using Molecular weight of fatty acids = N C MW C N H MW H N O MW O (A1.1) Where, N C, N H, and N O are the number of carbon, hydrogen, and oxygen atoms in the fatty acid chain, respectively. MW C, MW H, and MW O are the molecular weight of carbon, hydrogen, and oxygen, which are , , and 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 the molecular weight of individual fatty acids and fatty acid composition using Equation (A1.2).
2 244 Molecularweight of vegetableoil W i MW (A1.2) n i 1 i 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 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 Fatty acid Chemical formula Number of Atoms Carbon Hydrogen Oxygen Molecular weight of fatty acid (g/mol) Caprylic C 8 H 16 O Capric C 10 H 20 O Lauric C 12 H 24 O Myristic C 14 H 28 O Palmitic C 16 H 32 O Stearic C 18 H 36 O Oleic C 18 H 34 O Linoleic C 18 H 32 O Linolenic C 18 H 30 O Arachidic C 20 H 40 O Behanic C 22 H 44 O Lignoceric C 24 H 48 O Sample Molecular weight calculation (for Mahua vegetable oil): The fatty acid composition (in weight %) of Mahua oil ( 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
3 245 the weight percentage of fatty acids and their molecular weight ( Table A1.1) in Equation (A1.2), the molecular weight of Mahua vegetable oil is calculated is, ( ) ( ) ( ) ( ) ( ) g/mol. Therefore, the molecular weight of Mahua vegetable oil = 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 Palm oil Mahua oil Neem oil Karanja oil Jatropha oil Cottonseed oil Rubber seed oil Sunflower oil Linseed oil 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
4 246 vegetable oil does not include molecular weight of glycerol. The calculation of molecular weight of triglyceride is as follows. Average of weight of 3 each vegetable oil Molecularweight of vegetableoil calculated equation( A1.2) (A1.3) Where, the number 3 indicates that there are 3 fatty acids are attached to the glycerol molecule. the Equation (A.14). The molecular weight of a triglyceride (MW triglyceride ) is given by MW (3 Average MW ) MW - 3MW (A1.4) triglyceri de oil glycerol Water Where, MW glycerol and MW water are the molecular weight of glycerol and water, which are and 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 Palm oil Mahua oil Neem oil Karanja oil Jatropha oil Cottonseed oil Rubber seed oil Sunflower oil Linseed oil
5 247 Step 4: Calculation of mole ratio of alcohol to oil Equation (A1.5). The number of moles per 1000 grams of oil can be calculated 1000 Number of moles per1000 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 tooil ratio 3 (Number of moles of oil per 1000 grams of oil) 3:1methanol (A1.6) Therefore, the quantity of methanol in grams required for transesterification per 1000 grams of vegetable oil (Number of moles of methanol required per1000 grams oil for to oil ratio Molecular weight of methanol) 3 :1 methanol (A1.7) For 6: 1 Molar ratio (Methanol to oil) Number of molesof methanolrequiredper1000 gramsoil for to oil ratio 6 (Numberof molesof oil per1000 gramsof 6 :1methanol (A1.8) oil) Therefore, the quantity of methanol in grams required for transesterification per 1000 grams of vegetable oil (Number of moles of methanol required per1000 gramsoil for to oil ratio Molecular weight of methanol) 6 :1 methanol (A1.9)
6 248 Where, the molecular weight of methanol = grams per mole Using Equations (A1.5), (A1.6), (A1.7), (A1.8), and (A1.9), and inputs 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 Triglyceride of vegetable oil Molecular weight of triglyceride (g/mol) number of moles per 1000 g oil Molecular weight of methanol (g/mol) Methanol requirement for the transesterification of 1000 g oil Number moles of methanol 3:1 (A1.6) 6:1 (A1.8) grams of methanol 3:1 (A1.7) 6:1 (A1.9) Coconut Palm Mahua Neem Karanja Jatropha Cotton seed Rubber seed Sunflower Linseed
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