Carbon Species Solvated in Molten Carbonate Electrolyser Cell from First-Principles Simulations

We study the solvation of molecules and ions that are key in the context of Molten Carbonate Electrolyser Cells using first-principles simulations. Focusing on the electroreduction of CO₂ to CO in a molten carbonate medium, we investigate the solvation of both the reactant CO₂ and the product CO in the eutectic LiKCO₃, (containing 62 % Li₂CO₃, 38 % K₂CO₃,). CO₂ is found to spontaneously react with the carbonate ions to form the transient pyrocarbonate species, C₂O₅^2-. To investigate the similar reaction that could occur with CO and CO₃^2- to form an oxalate, we simulated that species and found it to be stable in the melt, supporting this hypothesis. We further present the solvation of O^2-, finding that it shows preferential formation of a complex with four lithium cations in a tetrahedral arrangement. Estimates of the diffusion coefficients of these species are then reported, showing that CO has the faster diffusion of all the molecules and ions studied.<br>

Carbon Species Solvated in Molten Carbonate Electrolyser Cell from First-Principles Simulations

We study the solvation of molecules and ions that are key in the context of Molten Carbonate Electrolyser Cells using first-principles simulations. Focusing on the electroreduction of CO₂ to CO in a molten carbonate medium, we investigate the solvation of both the reactant CO₂ and the product CO in the eutectic LiKCO₃, (containing 62 % Li₂CO₃, 38 % K₂CO₃,). CO₂ is found to spontaneously react with the carbonate ions to form the transient pyrocarbonate species, C₂O₅^2-. To investigate the similar reaction that could occur with CO and CO₃^2- to form an oxalate, we simulated that species and found it to be stable in the melt, supporting this hypothesis. We further present the solvation of O^2-, finding that it shows preferential formation of a complex with four lithium cations in a tetrahedral arrangement. Estimates of the diffusion coefficients of these species are then reported, showing that CO has the faster diffusion of all the molecules and ions studied.<br>

Carbon Species Solvated in Molten Carbonate Electrolyser Cell from First-Principles Simulations

We study the solvation of molecules and ions that are key in the context of Molten Carbonate Electrolyser Cells using first-principles simulations. Focusing on the electroreduction of CO₂ to CO in a molten carbonate medium, we investigate the solvation of both the reactant CO₂ and the product CO in the eutectic LiKCO₃, (containing 62 % Li₂CO₃, 38 % K₂CO₃,). CO₂ is found to spontaneously react with the carbonate ions to form the transient pyrocarbonate species, C₂O₅^2-. To investigate the similar reaction that could occur with CO and CO₃^2- to form an oxalate, we simulated that species and found it to be stable in the melt, supporting this hypothesis. We further present the solvation of O^2-, finding that it shows preferential formation of a complex with four lithium cations in a tetrahedral arrangement. Estimates of the diffusion coefficients of these species are then reported, showing that CO has the faster diffusion of all the molecules and ions studied.<br>

Ninhydrin-based spectrophotometric assays of trace cyanide

The extreme toxicity of cyanide, its wide industrial application as well as its continued illegal use generate research interest in different fields of science, imposing multidisciplinary approach to study cyanide poisoning. We show here that the reaction between cyanide and ninhydrin can be performed at ambient conditions; however, the ninhydrin reagent has to be freshly prepared in oxygen free solvent. Besides, we show that the reading of the absorbance at 485 nm might be more suitable and reliable than that at 590 nm, where the pH-dependent blue colored cyanide-ninhydrin adduct is less stable. Ninhydrin-based color reagent can be used to quantify the cyanide released from plant seeds. In sodium carbonate medium, the proposed assay is fast, cheap and environmentally friendly