Numerical Modeling of Sublimation of Ammonium Carbamate Applied to Supply System of NOx Reductant

Recently, ammonium carbamate (AC) has attracted attention as a substitute for urea, which is a commonly used reductant for NOx emitted from combustion engines. The AC exists as a solid at room temperature, and it is decomposed to NH3 and CO2 gases by heating. Therefore, adequate heat transfer is an essential issue in the design of AC pyrolysis reactor. In this study, a numerical model that describes the sublimation of AC was developed. For modeling, this study considered the three different calculation zones: solid-phase zone, gas-phase zone, and sublimation zone. Additionally, during the sublimation process, collapse of upper solid AC into the hollow space below by the effect of gravity is considered. As a result, it is presented that the modeling shows reasonable information about the AC sublimation in a reactor, such as temperatures in a reactor, pressure of reactor, and flow rate of sublimated gas. However, it is also found that accurate prediction of spatial temperature distribution is challenging because it is related to the accurate prediction of the internal shape of AC and its collapse in a reactor.

A Straightforward Synthesis of N-Substituted Ureas from Primary Amides

A direct and convenient method for the preparation of N-substituted ureas is achieved by treating primary amides with phenyliodine diacetate (PIDA) in the presence of an ammonia source (NH3 or ammonium carbamate) in MeOH. The use of 2,2,2-trifluoroethanol (TFE) as the solvent increases the electrophilicity of the hypervalent iodine species and allows the synthesis of electron-poor carboxamides. This transformation involves a nucleophilic addition of ammonia on the isocyanate intermediate generated in situ by a Hofmann rearrangement of the starting amide.

Influence of Surface Chemistry on the Electrochemical Performance of Biomass-Derived Carbon Electrodes for its Use as Supercapacitors

Activated carbons prepared by chemical activation from three different types of waste woods were treated with four agents: melamine, ammonium carbamate, nitric acid, and ammonium persulfate, for the introduction of nitrogen and oxygen groups on the surface of materials. The results indicate that the presence of the heteroatoms enhances the capacitance, energy density, and power density of all samples. The samples treated with ammonium persulfate show the maximum of capacitance of 290 F g−1 while for the melamine, ammonium carbamate, and nitric acid treatments, the samples reached the maximum capacitances values of 283, 280, and 455 F g−1 respectively. This remarkable electro-chemical performance, as the high specific capacitances can be due to several reasons: i) The excellent and adequate textural characteristics makes possible a large adsorption interface for electrolyte to form the electrical double layer, leading to a great electrochemical double layer capacitance. ii) The doping with hetero-atoms enhances the surface interaction of these materials with the aqueous electrolyte, increasing the accessibility of electrolyte ions. iii) The hetero-atoms groups can also provide considerable pseudo-capacitance improving the overall capacitance.

Production of Carbamic Acid Dimer from Ammonia-Carbon Dioxide Ices: Matching Observed and Computed IR Spectra

The production of complex molecules in ammonia–carbon dioxide ices is presumed to pass through species of formula H3N:CO2 with further addition of ammonia and carbon dioxide. One possible landmark, carbamic acid, H2NCOOH, has been implicated among the products of warming and irradiation of such ices. Experimental study of the IR spectra of residues has suggested the presence of related species, including weakly bound 1:1 and 2:1 complexes of ammonia with carbon dioxide, zwitterionic carbamic acid, ammonium carbamate, and the dimer of carbamic acid. We computed the energetics and vibrational spectra of these species as well as the complex between ammonia and carbamic acid for gas and condensed phases. By means of a new spectrum-matching scoring between computed and observed vibrational spectra, we infer species that are most probably present. The leading candidates are ammonium carbamate, the carbamic acid–ammonia complex, and the carbamic acid dimer.