Development of a Sustainable Process for the Production of Polymer Grade Lactic Acid

Development of a Sustainable Process for the Production of Polymer Grade Lactic Acid

Additional File 1

Table S1: Sensitivity analyses results over Separator 3 for Lactic acid (LA) mass fraction by varying Distillate to feed ratio, Reflux Ratio, Feed Location and No. of Stages

Sensitivity Analyses - Separator 3 (Aspen Model: Distl)
Distillate to Feed(D:F) / Reflux Ratio (RR) / Feed Location (F-LOC) / No. of Stages (NSTAGE)
D:F / LA Mass Frac / RR / LA Mass Frac / F-LOC / LA Mass Frac / N-STAGE / LA Mass Frac
0.5 / 0.83042 / 1 / 0.99996 / 4 / 0.99998 / 9 / 0.99996
0.55 / 0.85155 / 1.1 / 0.99997 / 5 / 0.99996 / 10 / 0.99999
0.6 / 0.87376 / 1.2 / 0.99997 / 11 / 1.00000
0.65 / 0.99996 / 1.3 / 0.99997
0.7 / 0.99997

Table S2: Sensitivity analyses results over Hydrolysis Reactor for Lactic acid (LA) mass fraction by varying Reactor Temperature, Pure Lactic Acid Inlet Flow Rate and Distilled Water Flow rate

Sensitivity Analyses - Hydrolysis Reactor (Aspen Model: RStoich)
Reactor Temperature / Pure Lactic Acid Inlet Flow Rate / Water Flow Rate
Temperature
(K) / LA Mass Frac / Pure Lactic Acid Mass Flow Rate
(KG/HR) / LA Mass Frac / Water Mass Flow Rate
(KG/HR) / LA Mass Frac
313 / 0.623120392 / 0 / 0.62208008 / 1.8 / 0.650124349
323 / 0.623121749 / 0.01 / 0.622775545 / 1.85 / 0.643813146
333 / 0.62312211 / 0.015 / 0.623122035 / 1.9 / 0.637221173
343 / 0.623121704 / 0.02 / 0.623468003 / 1.95 / 0.630328981
353 / 0.623121176 / 0.03 / 0.624155377 / 2 / 0.623121728
363 / 0.623121734 / 0.04 / 0.624838559 / 2.05 / 0.615573215
373 / 0.623122075 / 0.05 / 0.625517586 / 2.1 / 0.607667016
373.15 / 0.623121998 / 2.15 / 0.599386385
383 / 0.623122425 / 2.2 / 0.590881851
393 / 0.623122202
403 / 0.623122008
413 / 0.623122056

Table S3: Sensitivity analyses results over Bubble Column Reactor for Methyl Lactate (Me-La) mass fraction by varying No. of Stages, Distillate to feed ratio, Reflux Ratio and Methanol Feed Location

Sensitivity Analyses - Bubble Column Reactor (Aspen Model: RadFrac)
No. of Stages (NSTAGE) / Distillate to Feed(D:F) / Reflux Ratio (RR) / Methanol Feed Location
(F-LOC)
NSTAGE / Me-La Mass Fraction / D:F / Me-La Mass Fraction / RR / Me-La Mass Fraction / F-LOC / Me-La Mass Fraction
5 / 0.6302035 / 0.4 / 0.4728521 / 1 / 0.6412163 / 13 / 0.5951648
6 / 0.6305344 / 0.45 / 0.5006606 / 1.2 / 0.6438805 / 14 / 0.6362666
7 / 0.6282199 / 0.5 / 0.5310520 / 1.4 / 0.6445551 / 15 / 0.6445160
8 / 0.6275278 / 0.55 / 0.5594982 / 1.6 / 0.6447084 / 16 / 0.6221627
9 / 0.6273122 / 0.6 / 0.5841040 / 1.8 / 0.6446682 / 17 / 0.6074414
10 / 0.6272492 / 0.65 / 0.6118929 / 2 / 0.6445105
11 / 0.6272341 / 0.7 / 0.6445148 / 2.2 / 0.6443002
12 / 0.6272271 / 0.75 / 0.6837251 / 2.4 / 0.6440343
13 / 0.6272245 / 0.8 / 0.7310741 / 2.6 / 0.6437424
14 / 0.6272229 / 0.81 / 0.7403386 / 2.8 / 0.6434277
15 / 0.6272224 / 3 / 0.6430896
16 / 0.6400223 / 3.2 / 0.6427302
17 / 0.6445154 / 3.4 / 0.6423586
3.6 / 0.6419719
3.8 / 0.6415639
4 / 0.6411479

Table S4: Sensitivity analyses results over Bubble Column Reactor for Methyl Lactate (Me-La) mass fraction by varying Heater 1 (Lactic Acid Feed) Temperature, Heater 2 (Methanol Feed) Temperature

Sensitivity Analyses - Bubble Column Reactor (Aspen Model: RadFrac)
Heater 1 (Lactic Acid Feed) Temperature / Heater 2 (Methanol Feed) Temperature
Heat 1 Temp (K) / Me-La Mass Fraction / Heat 2 Temp (K) / Me-La Mass Fraction
323 / 0.6444547 / 343 / 0.6444983
333 / 0.6444665 / 353 / 0.6445105
343 / 0.6444773 / 363 / 0.6445093
353 / 0.6444890 / 373 / 0.6445103
363 / 0.6444987 / 383 / 0.6445117
373 / 0.6445102 / 392.15 / 0.6445146
376.15 / 0.6445141 / 393 / 0.6445130
383 / 0.6445829 / 403 / 0.6445142
393 / 0.6446868 / 413 / 0.6445152
403 / 0.6447078 / 423 / 0.6445162
413 / 0.6447132 / 433 / 0.6445171

Table S5: Sensitivity analyses results over Splitter for Methyl Lactate (Me-La) mass fraction by varying methanol split fraction

Sensitivity Analyses - Splitter (Aspen Model: FSplit)
Methanol Split fraction / Me-La Mass Fraction
0.15 / 0.7414326
0.2 / 0.7380813
0.25 / 0.7340047
0.3 / 0.7294677
0.35 / 0.7246340
0.4 / 0.7195749
0.45 / 0.7143304
0.5 / 0.7089075
0.55 / 0.7033045
0.6 / 0.6975320
0.65 / 0.6915837
0.7 / 0.6854536
0.75 / 0.6791417
0.8 / 0.6726302
0.85 / 0.6659218
0.9 / 0.6590059
0.95 / 0.6518723
1 / 0.6445289
Sensitivity Analyses - Separator 1 (Aspen Model: Distl)
Distillate to Feed(D:F) / Reflux Ratio (RR) / Feed Location (F-LOC) / No. of Stages (NSTAGE)
D:F / Me-La
Mass Frac / RR / Me-La
Mass Frac / F-LOC / Me-La
Mass Frac / N-STAGE / Me-La
Mass Frac
0.1 / 0.6749167 / 1 / 0.8703432 / 3 / 0.8608662 / 10 / 0.8718628
0.15 / 0.6902378 / 1.1 / 0.8708207 / 4 / 0.8691948 / 11 / 0.8719710
0.2 / 0.7063280 / 1.2 / 0.8711905 / 5 / 0.8718601 / 12 / 0.8720475
0.25 / 0.7232820 / 1.3 / 0.8714737 / 6 / 0.8727564
0.3 / 0.7411614 / 1.4 / 0.8716885 / 7 / 0.8730763
0.35 / 0.7600293 / 1.5 / 0.8718580 / 8 / 0.8731814
0.4 / 0.7799579 / 1.6 / 0.8720016
0.45 / 0.8010205 / 1.7 / 0.8721181
0.5 / 0.8232983 / 1.8 / 0.8722216
0.55 / 0.8468806 / 1.9 / 0.8723029
0.6 / 0.8718575 / 2 / 0.8723737
2.1 / 0.8724322
2.2 / 0.8724850
2.3 / 0.8725238
2.4 / 0.8725688
2.5 / 0.8726009
2.6 / 0.8726375
2.7 / 0.8726633
2.8 / 0.8726778
2.9 / 0.8727005
3 / 0.8727211

Table S6: Sensitivity analyses results over Separator 1 for Methyl Lactate (Me-La) mass fraction by varying Distillate to feed ratio, Reflux Ratio, Feed Location and No. of Stages

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