| Item |
Amount |
Comments |
| Chemicals |
| Dimethyl carbonate (DMC) |
1050 g |
Assumption: Created in SimaPro using Ecoinvent data for reagents of carbon monoxide, oxygen, and methanol according to Tundo and Selva (2006). This amount of DMC is used in different parts of the procedure. |
| 3-methyl-4-nitroimino-perhydro-1,3,5-oxadiazine |
184 g |
Assumption: Used generic Diazine Compound present within Ecoinvent database as substitute. |
| 2-chloro-5-chloromethylthiazole |
168 g |
Assumption: Created in Ecoinvent database using information present in Decker |
| Tetramethylammonium hydroxide pentahydrate |
4 g |
Assumption: Created in Ecoinvent database using information present in Walker |
| Potassium carbonate |
242 g |
|
| Water |
900 g |
Deionized water |
| Hydrochloric acid |
260 g |
|
| Energya |
| Heat to 65°C |
157.54 kJ |
Assumptions: Mass: sum of all compounds for the first mixture. Initially at room temperature. |
| Heat at 62°C to 68°C |
18.73 kJ |
Assumptions: The sum of all compounds mass in the mixture are used in the calculation. Initial temperature=62°C. |
| Cool to 47°C |
65.55 kJ |
Assumptions: When 99% of product is formed, the mixture is cooled. Total mass of reagents used as mass. |
| Heat to 65°C |
111.04 kJ |
Assumptions: The mass used was the sum of a possible product of 200 g+the water and hydrochloric acid. Initial temperature is 45°C. |
| Heat to 65°C |
125.7 kJ |
Assumptions: The mass used was the final mass after the heating. The initial temperature was room temperature after waiting for phase separation. |
| Cool at 65°C to 5°C |
188.55 kJ |
Assumptions: The mass used was the final mass after the heating. |
| Cool at 5°C |
1 kWh |
Electricity used to keep the mixture temperature at 5°C for 1 hour, 1 kW power requirement |
| Vacuum at 70°C |
176.77 kJ |
Assumptions: the mass used was the sum of a possible product of 200 g+the water and 300 grams of DMC. Initial temperature is room temp. |
