scholarly journals Electrochemical Tuning of CO2 Reactivity in Ionic Liquids Using Different Cathodes: From Oxalate to Carboxylation Products

2020 ◽  
Vol 6 (2) ◽  
pp. 34
Author(s):  
Silvia Mena ◽  
Gonzalo Guirado
Keyword(s):  
Carbon Dioxide ◽  
Ionic Liquids ◽  
Reduction Potential ◽  
Electrochemical Activation ◽  
Electrochemical Reactions ◽  
Turnover Frequency ◽  
Co2 Reactivity ◽  
Organic Electrolytes ◽  
Electrochemical Reactivity ◽  
Carbon Dioxide Co2

There is currently quite a lot of scientific interest in carbon dioxide (CO2) capture and valorization with ionic liquids (ILs). In this manuscript, we analyze the influence of the potential applied, the nature of the cathode and the electrolyte using different organic mediators, such as nitro or cyano aromatic derivatives, to promote the electrochemical activation of CO2. An electrocatalytic process using a homogeneous catalysis is seen when nitroderivatives are used, yielding to oxalate in organic electrolytes and ILs. Turnover frequency (TOF) values and Farafay efficiencies were slightly higher in N,N’-dimethylformamide (DMF) than in ILs probably due to the viscosity of the electrolyte. The use of cyano derivatives allows to tune the electrochemical reactivity in function of the reduction potential value applied from electrocarboxylated products (via a nucleophile-electrophile reaction) to oxalate. These electrochemical reactions were also performed using three different cathodes, organic electrolytes and ionic liquids. The use of copper, as a cathode, and ionic liquids, as electrolytes, would be a cheaper and greener alternative for activating carbon dioxide.

scholarly journals Elucidation of the Roles of Ionic Liquid in CO2 Electrochemical Reduction to Value-Added Chemicals and Fuels

Molecules ◽  
2021 ◽  
Vol 26 (22) ◽  
pp. 6962
Author(s):  
Sulafa Abdalmageed Saadaldeen Mohammed ◽  
Wan Zaireen Nisa Yahya ◽  
Mohamad Azmi Bustam ◽  
Md Golam Kibria
Keyword(s):  
Carbon Dioxide ◽  
Ionic Liquids ◽  
Reaction Mechanism ◽  
Electrochemical Reduction ◽  
Value Added ◽  
Faradaic Efficiency ◽  
Renewable Source ◽  
Carbon Dioxide Co2 ◽  
Physical And Chemical ◽  
Value Added Products

The electrochemical reduction of carbon dioxide (CO2ER) is amongst one the most promising technologies to reduce greenhouse gas emissions since carbon dioxide (CO2) can be converted to value-added products. Moreover, the possibility of using a renewable source of energy makes this process environmentally compelling. CO2ER in ionic liquids (ILs) has recently attracted attention due to its unique properties in reducing overpotential and raising faradaic efficiency. The current literature on CO2ER mainly reports on the effect of structures, physical and chemical interactions, acidity, and the electrode–electrolyte interface region on the reaction mechanism. However, in this work, new insights are presented for the CO2ER reaction mechanism that are based on the molecular interactions of the ILs and their physicochemical properties. This new insight will open possibilities for the utilization of new types of ionic liquids. Additionally, the roles of anions, cations, and the electrodes in the CO2ER reactions are also reviewed.

Sustainable catalyst-free N-formylation using CO2 as a carbon source

2021 ◽  
Vol 18 ◽  
Author(s):  
Zhengyi Li ◽  
Song Yang ◽  
Hu Li
Keyword(s):  
Carbon Dioxide ◽  
Ionic Liquids ◽  
Reaction Mechanism ◽  
Carbon Source ◽  
Organic Solvents ◽  
Research Progress ◽  
Practical Applications ◽  
Catalyst Free ◽  
Carbon Dioxide Co2 ◽  
Construction Strategies

: The development of new sustainable catalytic conversion methods of carbon dioxide (CO2) is of great interest in the synthesis of valuable chemicals. N-formylation of CO2 with amine nucleophiles as substrates has been studied in depth. The key to benign formylation is to select a suitable reducing agent to activate CO2. This paper showcases the activation modes of CO2 and the construction strategies of sustainable and catalyst-free N-formylation systems. The research progress of catalyst-free N-formylation of amines and CO2 is reviewed. There are two broad prominent categories, namely reductive amidation of CO2 facilitated by organic solvents and ionic liquids in the presence of hydrosilane. Attention is also paid to discussing the involved reaction mechanism with practical applications and identifying the remaining challenges in this field.

scholarly journals Rigorous Connectionist Models to Predict Carbon Dioxide Solubility in Various Ionic Liquids

2019 ◽  
Vol 10 (1) ◽  
pp. 304 ◽  
Author(s):  
Hocine Ouaer ◽  
Amir Hossein Hosseini ◽  
Menad Nait Amar ◽  
Mohamed El Amine Ben Seghier ◽  
Mohammed Abdelfetah Ghriga ◽  
...  
Keyword(s):  
Carbon Dioxide ◽  
Ionic Liquids ◽  
Equations Of State ◽  
Gene Expression Programming ◽  
Coefficient Of Determination ◽  
Full Dataset ◽  
Data Points ◽  
Points Of View ◽  
State Models ◽  
Carbon Dioxide Co2

Estimating the solubility of carbon dioxide in ionic liquids, using reliable models, is of paramount importance from both environmental and economic points of view. In this regard, the current research aims at evaluating the performance of two data-driven techniques, namely multilayer perceptron (MLP) and gene expression programming (GEP), for predicting the solubility of carbon dioxide (CO2) in ionic liquids (ILs) as the function of pressure, temperature, and four thermodynamical parameters of the ionic liquid. To develop the above techniques, 744 experimental data points derived from the literature including 13 ILs were used (80% of the points for training and 20% for validation). Two backpropagation-based methods, namely Levenberg–Marquardt (LM) and Bayesian Regularization (BR), were applied to optimize the MLP algorithm. Various statistical and graphical assessments were applied to check the credibility of the developed techniques. The results were then compared with those calculated using Peng–Robinson (PR) or Soave–Redlich–Kwong (SRK) equations of state (EoS). The highest coefficient of determination (R2 = 0.9965) and the lowest root mean square error (RMSE = 0.0116) were recorded for the MLP-LMA model on the full dataset (with a negligible difference to the MLP-BR model). The comparison of results from this model with the vastly applied thermodynamic equation of state models revealed slightly better performance, but the EoS approaches also performed well with R2 from 0.984 up to 0.996. Lastly, the newly established correlation based on the GEP model exhibited very satisfactory results with overall values of R2 = 0.9896 and RMSE = 0.0201.

Prediction and Validation of Carbon Dioxide Gas Solubility in Ionic Liquids at T=298K and Atmospheric Pressure using Quantum Chemical Approach

2011 ◽  
Vol 6 (1) ◽  
Author(s):  
Anantharaj Ramalingam ◽  
Tamal Banerjee
Keyword(s):  
Carbon Dioxide ◽  
Ionic Liquids ◽  
Quantum Chemical ◽  
Ring Structure ◽  
Gas Solubility ◽  
Absolute Deviation ◽  
Carbon Dioxide Gas ◽  
Infinite Dilution Activity Coefficient ◽  
Gas Solubilities ◽  
Carbon Dioxide Co2

Carbon dioxide (CO2) gas solubilities are predicted via quantum chemical calculations, which only requires molecular structure as initial information. The quantum chemical based Conductor like Screening Model for Real Solvents (COSMO-RS) has been adopted for this purpose. Predictions of gas solubility at temperatures ranging from (283.15 to 323.15 K) at 0.1 MPa were done for the IL:[EMIM][TFI]. The relative absolute deviation of around 30% shows that the quality of predictions is highly dependent on the infinite dilution activity coefficient of CO2 in [EMIM][TFI].Additionally thermodynamic parameters such as Gibb’s Energy of solvation, enthalpies and entropies have also been predicted and compared for the IL:[BMIM][BF4]. In addition, the carbon dioxide solubility in 16 ionic liquids comprising of imidazolium and pyridinium based cations was validated with reported values. The Root Mean Square Deviation (RMSD) obtained was: 3.09% [TFI], 6.5% [TFO] and 12% [PF6], respectively. Finally, the Henry’s constants of CO2 in 286 ionic liquids comprising of newer cations such as pyrrolidinium, piperidinium and morpholium were predicted at T=298.15 K. The saturated aromatic ring structure of pyrrolidinium, morpholinium and piperidinium based ionic liquids possessed low Henry’s constant values which indicates high solubility of CO2 in ionic liquids.

scholarly journals Electrochemical Incorporation of Carbon Dioxide into Fluorotoluene Derivatives under Mild Conditions

Catalysts ◽  
2021 ◽  
Vol 11 (8) ◽  
pp. 880
Author(s):  
Silvia Mena ◽  
Jesus Bernad ◽  
Gonzalo Guirado
Keyword(s):  
Climate Change ◽  
Carbon Dioxide ◽  
Aprotic Solvent ◽  
Organic Electrolytes ◽  
Mild Conditions ◽  
Polar Aprotic Solvent ◽  
Conversion Rates ◽  
Combat Climate Change ◽  
Carbon Dioxide Co2 ◽  
High Yields

One of the main challenges to combat climate change is to eliminate or reuse Carbon dioxide (CO2), the largest contributor to the greenhouse gases that cause global warming. It is also important to synthesize compounds through greener technologies in order to obtain more environmentally friendly solutions. This study describes the electrocarboxylation process of α,α,α-trifluorotoluene using different working electrodes (glassy carbon, silver and copper) and electrolytes (polar aprotic solvent and ionic liquid). Carboxylated compounds were obtained in the same way in both electrolytic medias with more than 80% conversion rates, high yields, good selectivity, and moderate efficiencies using silver and copper as cathodes in organic electrolytes and ionic liquids.

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