Assessment on CO₂ Utilization through Rigorous Simulation: Converting CO₂ to Dimethyl Carbonate

Abstract

This paper intends to discuss the economical performances and CO2 reduction potential of two CO2-based dimethyl carbonate (DMC) production processes through rigorous process simulation. One of them is the direct production process with addition of butylene oxide (BO) as dehydrating agent (DIR-BO porocess), while the other is the indirect production process through ethylene carbonate (EC) as an intermediate (IND-EC process). Both processes are systematically optimized and heat-integrated. From economical evaluation, the IND-EC process exhibits economical attractiveness, while the DIR-BO process does not. We suggest that once the reaction rate of the DIR-BO process can be improved, the overall economic performance of the direct process can be much better. From the aspect of CO2 reduction, the net CO2 emissions throughout both processes are calculated. We found that DIR-EO process is largely carbon positive, with CO2 emission of 2.242 (kg CO2/kg DMC), yet for the IND-EC process, it is near carbon neutral, with CO2 emission of 0.049 (kg CO2/kg DMC). Thus, from the aspect of achieving CO2 reduction, converting it into DMC provides limited benefits.

Metal-organic frameworks MOF-808-X as highly efficient catalysts for direct synthesis of dimethyl carbonate from CO2 and methanol

“…Catalytic activities of MOF-808-X for the direct synthesis of DMC from CO2 and CH3OH were evaluated by batch reaction and the results are summarized in Table 3. It is well known that the synthesis of DMC from CO2 and CH3OH was limited by a thermodynamic equilibrium [45,46]. Therefore, trimethoxyl methane (TMM) was used as the dehydrating agent to shift the reaction towards the direction of DMC formation by the removal of by-product, water [6,47].…”

CO2 Conversion with Alcohols and Amines into Carbonates, Ureas, and Carbamates over CeO2 Catalyst in the Presence and Absence of 2‐Cyanopyridine

“…However, the addition of nitriles to the reaction system and the separation of the produced amides can increase the energy calculation as pointed out in the previous report. [41] Recently, it seems that the field of chemical engineering is interested in the construction of the process including the H 2 O removal system using a dehydrating agent of butylene oxide, [42] catalytic membrane reactors, [43] in-situ hydration-assisted reactive distillation, [44] a true moving bed reactor, [45] the combination of the reaction zone and the separation zone at two temperatures, [46] and so on. Based on the results of the simulation of the processes for the direct conversion of CO 2 and methanol to DMC, it is not so easy to make these processes more feasible than other DMC production methods.…”

Direct dimethyl carbonate synthesis from CO2 and methanol catalyzed by CeO2 and assisted by 2-cyanopyridine: a cradle-to-gate greenhouse gas emission study

“…The direct DMC synthesis was evaluated by Yu et al (2018) 55 and Wu and Chien (2019) 56 who conducted technoeconomic assessments using process simulations to quantify the gate-to-gate CO 2 emissions from the processes. In both pioneering studies, ethylene oxide (EO) was used as the dehydration agent with the Cu-Ni bimetallic nanocomposite catalyst, resulting in a low gate-to-gate CO 2 emission (0.049 to −0.232 kg-CO 2 per kg-DMC) from the process.…”