toward a greener energy mix together with more sustainable chemical production is halfway but will still require many more years or perhaps decades and massive investment to pervade the market. Additionally, some sectors such as cement industries intrinsically emit CO 2 . [2] Opting for solutions based on carbon capture and storage (CCS) as well as carbon capture and use (CCU) can help to restrain persisting CO 2 emissions. CCS involves storing carbon within geological formations which is an efficient way to curb CO 2 emissions, but this technology is costly and energy intensive. Hence, CCU is a relatively more promising and attractive option. [3] The captured CO 2 can be used as a renewable resource to manufacture chemicals (formic acid, acetic acid, and carbonates) and fuels (methanol, ethanol, etc.). [4] However, the thermodynamic stability of CO 2 molecule (π-conjugated stable structure) puts forward a critical impediment in CO 2 use and thus, its use as chemical feedstock is presently limited to few industrial processes such as urea production and methane synthesis in Powerto-Methane plants. Moreover, the phase transformation in its conversion process, i.e., final products in liquid phase (e.g., methanol and ethanol), while reactants (CO 2 and H 2 ) in gaseous phase, renders the reaction entropically less favorable. All the above limitations led to the advent of CO 2 conversion in presence of high-performance metal-based catalyst for activating CO 2 molecule under milder conditions. [5] CO 2 hydrogenation over metal-based catalysts can effectively produce methanol (CH 3 OH) which is one of the most promising environment-benign fuels. Although, several approaches for CO 2 conversion to methanol such as electrochemical, photochemical, and thermochemical processes have been investigated but among them, only thermochemical route has given high conversion yields for methanol synthesis. [2,6,7] Methanol can be used as a blending component or replacement for gasoline in IC engines for improving the octane rating and reducing the emissions of SOx, NOx, and hydrocarbons. Also, its storage and transportation is comparatively easier than gasoline as it is less flammable and exists in liquid state at room temperature. [8] Moreover, methanol can be employed as chemical feedstockThe hydrogenation of CO 2 to methanol has been studied by several researchers owing to its two significant merits, namely, mitigation of CO 2 emissions and production of renewable fuel. Consequently, numerous experiments have been reported for carbon-neutral methanol synthesis over copper-based catalysts over the past few years. However, it is very expensive and time-consuming to always observe reaction changes with respect to input parameters (operating conditions and catalytic properties) experimentally. Herein, this study develops an ultrafast machine learning (ML) based framework to predict CO 2 conversion and methanol selectivity by comprehensive knowledge extraction (extensive database construction) from existing published literature. Among...
A comprehensive thermodynamic study was conducted to evaluate the comparative efficacy of methanol and dimethyl ether (DME) synthesis using CO 2 rich syngas feed. The first part of our study included assessing the relative performances of the methanol synthesis system, two step DME synthesis system, and one step DME synthesis system in terms of the CO x conversion and product yield (methanol/ DME) based on the Gibbs free energy minimization approach. The wide range of composition of CO 2 -enriched syngas feed produced by the coal and biomass gasification was simulated using Aspen Plus and the following evaluation parameters were analyzed for a broad parameter range: reaction temperature (180-280 C), reaction pressure (10-80 bar), stoichiometry number (SN) (0-11), and CO 2 / (CO 2 + CO) molar feed ratio (0-1) for isothermal as well as adiabatic conditions. Based on the equilibrium yield, one-step DME synthesis was discovered as the most viable process to utilize the co-gasification derived syngas effectively. In the second part of our study, the overall process efficiency was inspected through the process design of 1 tonnes per day (TPD) DME plant inclusive of heat integration, resulting in significant CO 2 abatement and DME production with high product purity and minimum energy consumption. Consequently, one-step DME production via CO 2enriched syngas obtained through the coal or biomass gasification process is identified as the leading technology based on energy utilization and CO 2 abatement. K E Y W O R D SCO 2 rich syngas, dimethyl ether, methanol, plant design, thermodynamics
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