This study investigates the corrosion inhibition efficiency of 2-(2-benzylidenehydrazinyl)-3-nitroimidazo[1,2-a]pyridine (BNH-NIP) for aluminum in 1 M hydrochloric acid. Gravimetric measurements indicate that the inhibition efficiency increases with inhibitor concentration but decreases with increasing temperature. Adsorption isotherm analysis shows that experimental data are well described by Villamil model, suggesting interactions among species adsorbed on metal surface. The calculated adsorption and activation thermodynamic parameters demonstrate that inhibitor molecules adsorb onto aluminum surface and markedly hinder its dissolution in acidic medium. Density functional theory (DFT) calculations support experimental findings by demonstrating the molecule’s pronounced electron-donating and electron-accepting capabilities, which favor its interaction with the metal surface. Fukui function analysis further identifies N(17) and O(15) as the principal active sites involved in the adsorption process. Theoretical results are consistent with experimental observations, providing evidence of a strong interaction between BNH-NIP and aluminum surface. These findings confirm the effective corrosion inhibition performance of BNH-NIP toward aluminum in acidic media. Overall, the combined experimental and theoretical results highlight BNH-NIP as a promising corrosion inhibitor for aluminum in acidic environments.
Biomass is a sustainable material. Currently, there is a lack of thermodynamic data in enthalpy change of formation, absolute entropy, entropy change of formation, and Gibbs free energy change of formation, and because of this the study of biomass has been affected. As a response to the subpar situation, this research aims to: (i) establish the thermodynamic framework of Buswell’s equation as a model, (ii) quantify the thermodynamic parameters (enthalpy change of formation, absolute entropy, entropy change of formation, and Gibbs free energy change of formation) of biomass, (iii) compare absolute entropy and Battley-absolute entropy, and (iv) compare entropy change of formation and Battley-entropy change of formation. The research concludes that for any given empirical formula of biomass, the corresponding thermodynamic parameters can be determined by the established Buswell’s model. In addition, graphical plotting between the following two pairs shows strong linear correlations: absolute entropy and Battley-absolute entropy, entropy change of formation and Battley-entropy change of formation of biomass.
Empirical Buswell’s equation for biomethane formation is a bioredox and bioenergy model for identifying the elemental composition, redox properties, and thermal properties of anaerobic digestate. The anaerobic digestion metrics for evaluating the degradability performance of organic matter such as biodegradability index, electron conversion efficiency, and energy conversion efficiency have already been developed. In this research, the theoretical and experimental heat of bioredox in anaerobic digestion are quantified, in which calculations are demonstrated by step-by-step procedures. Then the relationships between the established heat of bioredox conversion efficiency in anaerobic digestion and pre-existing anaerobic digestion metrics are bridged. The research finds out that: (i) both theoretical and experimental heat of anaerobic digestion are equal to zero, (ii) both theoretical and experimental heat of bioredox in anaerobic digestion are less than zero, (iii) heat of bioredox conversion efficiency in anaerobic digestion is identical to its biodegradability index and electron conversion efficiency, (iv) when higher heating value of organic matter is counted by the modified Dulong formula, heat of bioredox conversion efficiency in anaerobic digestion is not equal to energy conversion efficiency, (v) when higher heating value of organic matter is counted by the theoretical higher heating formula, heat of bioredox conversion efficiency in anaerobic digestion is equal to energy conversion efficiency, and (vi) empirical Buswell’s equation can be used as a device to validate the experimental biomethane potential of organic matter and empirical formula of anaerobic digestate.
Anaerobic digestion is a microorganism-mediated bioredox and bioenergy system composed of series of biochemical conversions. Although heat of anaerobic digestion is an important thermal parameter, it has rarely been measured and calculated. In addition, heat of biohydrolysis and heat of bioredox for anaerobic digestion have not yet been explored. This study establishes Buswell’s equation as an energy model to quantify standard heat of anaerobic digestion, standard heat of biohydrolysis, and standard heat of bioredox. Examples for counting standard heat of anaerobic digestion are demonstrated by integrating theoretical mathematical framework and thermochemical equation of Buswell’s equation. Based on the derived mathematical equations, standard heat of anaerobic digestion, standard heat of biohydrolysis, and standard heat of bioredox can be determined accordingly. The graphical correlation between standard heat of biohydrolysis and standard heat of bioredox shows very strong linear relationship.
Empirical Buswell’s equation for biohydrogen is a stoichiometric model to identify elemental composition and thermal properties of dark fermentation effluent. Biodegradability index, energy conversion efficiency, and electron conversion efficiency are applied to evaluate the degradability performance of organic matter. Based on empirical Buswell’s equation for biohydrogen, experimental heat of dark fermentation is determined by mass percentages of elements of organic matter and experimental biohydrogen yield. In this study, the calculation of theoretical and experimental heat of dark fermentation for dark fermentation effluent are demonstrated by step-by-step procedures. The macroscopic energy-based metric, heat conversion efficiency, is established and defined as the ratio of experimental heat of dark fermentation to theoretical heat of dark fermentation. The study concludes that: (i) both theoretical and experimental heat of dark fermentation are endothermic reactions, (ii) theoretical higher heating value and standard heat of formation of dark fermentation effluent in kilojoule per gram is greater than those of organic matter, (iii) heat conversion efficiency is identical to biodegradability index, (iv) heat conversion efficiency is less than energy conversion efficiency, and (v) heat conversion efficiency and electron conversion efficiency are identical.
