Application of RSM Method for Optimization of Geraniol Transformation Process in the Presence of Garnet
Abstract
:1. Introduction
Garnet and Its Properties
2. Results and Discussion
2.1. Impact of Control Factors on GA Conversion
- CG is conversion of geraniol [wt%];
- T is temperature [°C];
- C is concentration [wt%];
- τ is time [h].
2.2. Impact of Control Factors on NE Selectivity
- DS is NE selectivity [wt%];
- T is temperature [°C];
- C is concentration [wt%];
- τ is time [h].
2.3. Impact of Control Factors on CL selectivity
- TS is thumbergol selectivity wt%;
- T is temperature °C;
- C is concentration wt%;
- τ is time h.
2.4. Composite Desirability Coefficient
3. Materials and Methods
- GA conversion Cgeraniol:
- 2.
- Selectivity to the key products (NE and CL) Sproduct/geraniol:
- y is the dependent variable (response);
- xi shows values of the i-th cutting parameter;
- β0, βi, βii are the factors of regressions;
- ε is the error acquiring in the cutting.
4. Conclusions
- For the GA conversion, the optimum was obtained at 94 mol% at 60 °C, a catalyst concentration of 5.0 wt% and a reaction time of 2 h.
- For NE selectivity, the optimum value was reached at 49 mol% at 60 °C, a catalyst concentration equal to 2.5 (5.0) wt% mole and a reaction time of almost 2 h.
- For CL selectivity, the optimum value of 49 mol% was obtained for control factors: a temperature equal to 20 °C, a catalyst concentration equal to 5.0 wt% and a response time equal to 2 h.
- The optimal set of control factors for all power factors is characterized by a temperature of 55 °C, a catalyst concentration of 5 wt% and a reaction time of 2 h.
Author Contributions
Funding
Institutional Review Board Statement
Informed Consent Statement
Data Availability Statement
Conflicts of Interest
References
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S | R2 | R2(adj) | R2(pred) |
---|---|---|---|
1.96809 | 97.64% | 96.39% | 93.37% |
Source | DF | Adj SS | Adj MS | F-Value | p-Value |
---|---|---|---|---|---|
Model | 9 | 2722.82 | 302.535 | 78.11 | 0.000 |
Linear | 3 | 1662.14 | 554.047 | 143.04 | 0.000 |
Temperature [°C] | 1 | 776.45 | 776.449 | 200.46 | 0.000 |
Catalyst concentration [wt%] | 1 | 432.38 | 432.376 | 111.63 | 0.000 |
Time [h] | 1 | 517.47 | 517.470 | 133.60 | 0.000 |
Square | 3 | 665.65 | 221.882 | 57.28 | 0.000 |
Temperature [°C]*Temperature [°C] | 1 | 605.61 | 605.615 | 156.35 | 0.000 |
Catalyst concentr. [wt%]*Catalyst concentr. [wt%] | 1 | 0.71 | 0.714 | 0.18 | 0.673 |
Time [h]*Time [h] | 1 | 59.32 | 59.317 | 15.31 | 0.001 |
Two-Way Interaction | 3 | 165.49 | 55.162 | 14.24 | 0.000 |
Temperature [°C]*Catalyst concentration [wt%] | 1 | 45.44 | 45.439 | 11.73 | 0.003 |
Temperature [°C]*Time [h] | 1 | 69.46 | 69.465 | 17.93 | 0.001 |
Catalyst concentration [wt%]*Time [h] | 1 | 50.58 | 50.582 | 13.06 | 0.002 |
Error | 17 | 65.85 | 3.873 | ||
Total | 26 | 2788.67 |
S | R2 | R2(adj) | R2(pred) |
---|---|---|---|
3.74216 | 93.89% | 90.65% | 83.95% |
Source | DF | Adj SS | Adj MS | F-Value | p-Value |
---|---|---|---|---|---|
Model | 9 | 3657.94 | 406.44 | 29.02 | 0.000 |
Linear | 3 | 2825.31 | 941.77 | 67.25 | 0.000 |
Temperature [°C] | 1 | 518.48 | 518.48 | 37.02 | 0.000 |
Catalyst concentration [wt%] | 1 | 419.92 | 419.92 | 29.99 | 0.000 |
Time [h] | 1 | 1986.79 | 1986.79 | 141.88 | 0.000 |
Square | 3 | 618.42 | 206.14 | 14.72 | 0.000 |
Temperature [°C]*Temperature [°C] | 1 | 358.51 | 358.51 | 25.60 | 0.000 |
Catalyst concentr. [wt%]*Catalyst concentr. [wt%] | 1 | 82.51 | 82.51 | 5.89 | 0.027 |
Time [h]*Time [h] | 1 | 177.40 | 177.40 | 12.67 | 0.002 |
Two-Way Interaction | 3 | 95.49 | 31.83 | 2.27 | 0.117 |
Temperature [°C]*Catalyst concentration [wt%] | 1 | 11.97 | 11.97 | 0.85 | 0.368 |
Temperature [°C]*Time [h] | 1 | 3.61 | 3.61 | 0.26 | 0.618 |
Catalyst concentration [wt%]*Time [h] | 1 | 79.91 | 79.91 | 5.71 | 0.029 |
Error | 17 | 238.06 | 14.00 | ||
Total | 26 | 3896.00 |
S | R2 | R2(adj) | R2(pred) |
---|---|---|---|
2.09472 | 96.54% | 94.71% | 91.22% |
Source | DF | Adj SS | Adj MS | F-Value | p-Value |
---|---|---|---|---|---|
Model | 9 | 2083.41 | 231.49 | 52.76 | 0.000 |
Linear | 3 | 1616.44 | 538.81 | 122.80 | 0.000 |
Temperature [°C] | 1 | 2.48 | 2.48 | 0.57 | 0.462 |
Catalyst concentration [wt%] | 1 | 0.00 | 0.00 | 0.00 | 0.990 |
Time [h] | 1 | 1616.21 | 1616.21 | 368.34 | 0.000 |
Square | 3 | 465.68 | 155.23 | 35.38 | 0.000 |
Temperature [°C]*Temperature [°C] | 1 | 7.75 | 7.75 | 1.77 | 0.201 |
Catalyst concentr. [wt%]*Catalyst concentr. [wt%] | 1 | 199.48 | 199.48 | 45.46 | 0.000 |
Time [h]*Time [h] | 1 | 258.45 | 258.45 | 58.90 | 0.000 |
Two-Way Interaction | 3 | 136.52 | 45.51 | 10.37 | 0.000 |
Temperature [°C]*Catalyst concentration [wt%] | 1 | 106.70 | 106.70 | 24.32 | 0.000 |
Temperature [°C]*Time [h] | 1 | 26.64 | 26.64 | 6.07 | 0.025 |
Catalyst concentration [wt%]*Time [h] | 1 | 3.18 | 3.18 | 0.72 | 0.406 |
Error | 17 | 74.59 | 4.39 | ||
Total | 26 | 2158.00 |
Test nr. | Temp | Catalysts Concentration | Time | GA Conversion | NE Selectivity | CL Selectivity |
---|---|---|---|---|---|---|
- | [°C] | [wt%] | [h] | [mol%] | [mol%] | [mol%] |
1 | 20 | 1.0 | 0.25 | 40 | 7 | 13 |
2 | 20 | 1.0 | 1.00 | 51 | 20 | 31 |
3 | 20 | 1.0 | 2.00 | 73 | 38 | 41 |
4 | 20 | 2.5 | 0.25 | 60 | 12 | 13 |
5 | 20 | 2.5 | 1.00 | 68 | 19 | 29 |
6 | 20 | 2.5 | 2.00 | 80 | 28 | 37 |
7 | 20 | 5.0 | 0.25 | 73 | 19 | 27 |
8 | 20 | 5.0 | 1.00 | 78 | 26 | 36 |
9 | 20 | 5.0 | 2.00 | 85 | 39 | 49 |
10 | 60 | 1.0 | 0.25 | 73 | 14 | 23 |
11 | 60 | 1.0 | 1.00 | 80 | 29 | 33 |
12 | 60 | 1.0 | 2.00 | 87 | 41 | 46 |
13 | 60 | 2.5 | 0.25 | 79 | 20 | 20 |
14 | 60 | 2.5 | 1.00 | 84 | 28 | 30 |
15 | 60 | 2.5 | 2.00 | 85 | 49 | 40 |
16 | 60 | 5.0 | 0.25 | 86 | 37 | 27 |
17 | 60 | 5.0 | 1.00 | 91 | 43 | 33 |
18 | 60 | 5.0 | 2.00 | 94 | 49 | 40 |
19 | 110 | 1.0 | 0.25 | 78 | 22 | 31 |
20 | 110 | 1.0 | 1.00 | 79 | 28 | 32 |
21 | 110 | 1.0 | 2.00 | 88 | 40 | 45 |
22 | 110 | 2.5 | 0.25 | 80 | 19 | 19 |
23 | 110 | 2.5 | 1.00 | 85 | 27 | 29 |
24 | 110 | 2.5 | 2.00 | 86 | 48 | 39 |
25 | 110 | 5.0 | 0.25 | 87 | 36 | 26 |
26 | 110 | 5.0 | 1.00 | 91 | 42 | 32 |
27 | 110 | 5.0 | 2.00 | 92 | 48 | 39 |
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Fajdek-Bieda, A.; Perec, A.; Radomska-Zalas, A. Application of RSM Method for Optimization of Geraniol Transformation Process in the Presence of Garnet. Int. J. Mol. Sci. 2023, 24, 2689. https://doi.org/10.3390/ijms24032689
Fajdek-Bieda A, Perec A, Radomska-Zalas A. Application of RSM Method for Optimization of Geraniol Transformation Process in the Presence of Garnet. International Journal of Molecular Sciences. 2023; 24(3):2689. https://doi.org/10.3390/ijms24032689
Chicago/Turabian StyleFajdek-Bieda, Anna, Andrzej Perec, and Aleksandra Radomska-Zalas. 2023. "Application of RSM Method for Optimization of Geraniol Transformation Process in the Presence of Garnet" International Journal of Molecular Sciences 24, no. 3: 2689. https://doi.org/10.3390/ijms24032689