Noureddini & Zhu
Consider TG k1 = 2.07E-03 <=====> DG k2 = 0 k3 = 1.41E-02 k5 = <=====> MG <=====> k4 = 5.63E-02 k6 = 6.29E-03 Gly 2.26E-04 [Gly]0 = 1
Total time =
MW Time 0 1 =====>
60 mins
[DG]0 = 0 356.55 92.1 [MG] [Gly] 0 0 0 0 [MG]0 = 0 296.5 32.04 mole/min [ME] [MeOH] -d[ME]/dt 0 4.9378 0.01 4.9294 0.5041
[TG]0 = 1 885.46 621.01 [TG] [DG] 0.82 0 0.81 0.01
When you first open this spreadsheet, you will doubtless be perplexed by its apparent complexity. In just a moment, and at the press of a key, it will all get much worse! The rate constants given in row 2 & 4 are taken from the Noureddini & Zhu paper. In cell K2, you can select the temperature at which you want to model. Go ahead! Give it a whirl! You should see the k values change. Noureddini & Zhu also carried out some limited work at a different stirrer speed so I have fitted that option in on cell M2. You can set the time over which you want to follow the reaction in cell C5. Initial concentration of the reactants and products (in moles) is set up in row 6. You can change any of these more or less at any time. (Note that [TG]0 is initially set to 1 and [MeOH]0 is set to 6. The cell I7 initially contains the value of 1. This is the proportion of the glycerol which remains in the reactor each second after half the reaction has taken place. Thus, setting I7 to 0.99 will remove 1% of the glycerol every second after half-time. Ctrl-n (or pressing the magic cyan button) will compress the spreadsheet to its present form.
3 2.5 2
moles
1.5 1 0.5 0 0
42
Ctrl-m (or pressing the magic yellow button) will set up the spreadsheet and run your first case. Thereafter, you can change all the boundary conditions except for the time of the run. To change that, you will need to first press Ctrl-n(cyan button in P4), change the time, then press Ctrl-m (yellow button in P3). Have fun! :-) Michael Allen
SOYBEAN
65C
60 0 Gly capture factor
50C 4 55C 60C
Re=6400
Re=6400 Re=12400 Ctrl+m Ctrl+n
Setup Close Down Estimated Total volume =
65C [ME] = 0 [MeOH] = 6 %conv mole% wt% After 0.00 0.00 0.00 washing 0.00 0 0 0.34 1.01 0.34
Transesterification
3 2.5 2
0.0
0.0
0.0
0.0 0 0 0 0 0 420 840 1260 1680 2100 2520 2940 3360 0
moles
1.5 1 0.5 0
0.0
secs
ow button in P3).
1.22 litres TC 50
n
0.01 0.01 0.01 0.01 0 0 0 0 3360 0 [TG] [Gly] [ME] [DG] [MG]
2940
moles
0.01
R=
8.31 J/(gmolK) 1.99 cal/gmolK
Ea Ea TK 323.13
13145 13600 TG->DG
9932 19860 14639 6421 9588 cal/mole 9783 18769 11177 5182 9873 cal/mole DG->TG DG->MG MG->DG MG->GL GL->MG 0 0 0 0 0 0
Re=6200 Re=12400 exp(-Ea/RT)
=====>
When you first open this spreadsheet, you will doubtless be perplexed by its apparent complexity. In just a moment, and at the press of a key, it will all get much worse! The rate constants given in row 2 & 4 are taken from the Noureddini & Zhu paper. In cell K2, you can select the temperature at which you want to model. Go ahead! Give it a whirl! You should see the k values change. Noureddini & Zhu also carried out some limited work at a different stirrer speed so I have fitted that option in on cell M2. You can set the time over which you want to follow the reaction in cell C5. Initial concentration of the reactants and products (in moles) is set up in row 6. You can change any of these more or less at any time. (Note that [TG]0 is initially set to 1 and [MeOH]0 is set to 6. The cell I7 initially contains the value of 1. This is the proportion of the glycerol which remains in the reactor each second after half the reaction has taken place. Thus, setting I7 to 0.99 will remove 1% of the glycerol every second after half-time. Ctrl-n (or pressing the magic cyan button) will compress the spreadsheet to its present form. Ctrl-m (or pressing the magic yellow button) will set up the spreadsheet and run your first case. Thereafter, you can change all the boundary conditions except for the time of the run. To change that, you will need to first press Ctrl-n(cyan button in P4), change the time, then press Ctrl-m (yellow button in P3). Have fun! :-) Michael Allen
