Aqueous amine solvents are used to capture CO from various flue gas sources. In this work, the chemical stability of a blend of 3-amino-1-propanol (3A1P) and 1-(2-hydroxyethyl)pyrrolidine [1-(2HE)PRLD] was studied. The chemical stability tests were conducted both in batch and cycled systems using various oxygen and NOx concentrations, additives (iron), and temperatures. In the thermal degradation experiments with CO present, the blend was more stable than the primary amines [(3A1P or monoethanolamine (MEA)] but less stable than the tertiary amine 1-(2HE)PRLD alone. Similar stability was observed between MEA, 3A1P, and the blend in the batch experiments at medium oxygen concentration (21% O) and no iron present. 1-(2HE)PRLD was more stable. However, the presence of high oxygen concentration (96% O) and iron reduced the stability of 1-(2HE)PRLD significantly. Furthermore, in the case of the blend, the chemical stability increased with increasing promoter concentration in batch experiments. During the cyclic experiment, the amine loss for the blend was similar to what was previously observed for MEA (30 wt %) under the same conditions. A thorough mapping of degradation compounds in the solvent and condensate samples resulted in the identification and quantification of 30 degradation compounds. The major components in batch and cycled experiments varied somewhat, as expected. In the cyclic experiments, the major components were ammonia, 3-(methylamino)-1-propanol (methyl-AP), ,'-bis(3-hydroxypropyl)-urea (AP-urea), pyrrolidine, formic acid (formate), and -(3-hydroxypropyl)-glycine (HPGly). Finally, in this paper, formation pathways for the eight degradation compounds (1,3-oxazinan-2-one, AP-urea, 3-[(3-aminopropyl)amino]-1-propanol, tetrahydro-1-(3-hydroxypropyl)-2(1)-pyrimidinone, methyl-AP, -(3-hydroxypropyl)-formamide, -(3-hydroxypropyl)-β-alanine, and HPGly) are suggested.
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http://dx.doi.org/10.1021/acs.iecr.2c03068 | DOI Listing |
J Mol Model
January 2025
Shanxi Jiangyang Chemical Limited Company, Taiyuan, 030041, Shanxi, China.
Context: DNAN/DNB cocrystals, as a newly developed type of energetic material, possess superior safety and thermal stability, making them a suitable alternative to traditional melt-cast explosives. Nonetheless, an exploration of the thermal degradation dynamics of the said cocrystal composite has heretofore remained uncharted. Consequently, we engaged the ReaxFF/lg force field modality to delve into the thermal dissociation processes of the DNAN/DNB cocrystal assembly across a spectrum of temperatures, encompassing 2500, 2750, 3000, 3250, and 3500 K.
View Article and Find Full Text PDFJ Mol Model
January 2025
Escuela Superior de Física y Matemáticas, IPN S/N, Edificio 9 de la Unidad Profesional "Adolfo López Mateos", Col. Lindavista, Alc. Gustavo A. Madero, 07738, Mexico City, Mexico.
Context: "Nanostructure of graphene-reinforced with polymethyl methacrylate" (PMMA-G), and vice versa, is investigated using its molecular structure, in the present work. The PMMA-G nanostructure was constructed by bonding PMMA with graphene nanosheet in a sense to get three different configurations. Each configuration consisted of polymeric structures with three degrees of polymerization (such as monomers, dimers, and trimers polymers, respectively).
View Article and Find Full Text PDFJ Phys Chem Lett
January 2025
School of Physics, State Key Laboratory of Crystal Materials, Shandong University, Jinan 250100, China.
Electrochemical nitrogen conversion for ammonia (NH) synthesis, driven by renewable electricity, offers a sustainable alternative to the traditional Haber-Bosch process. However, this conversion process remains limited by a low Faradaic efficiency (FE) and NH yield. Although transition metals have been widely studied as catalysts for NH synthesis through effective electron donation/back-donation mechanisms, there are challenges in electrochemical environments, including competitive hydrogen evolution reaction (HER) and catalyst stability issues.
View Article and Find Full Text PDFChemMedChem
January 2025
Nankai University, State Key Laboratory of Elemento-Organic Chemistry and Department of Chemical Biology, College of Chemistry, 94 Weijin Road, 300071, Tianjin, CHINA.
Membrane proteins, a principal class of drug targets, play indispensable roles in various biological processes and are closely associated with essential life functions. Their study, however, is complicated by their low solubility in aqueous environments and distinctive structural characteristics, necessitating a suitable native-like environment for molecular analysis. Nanodisc technology has revolutionized this field, providing biochemists with a powerful tool to stabilize membrane proteins and significantly enhance their research possibilities.
View Article and Find Full Text PDFAngew Chem Int Ed Engl
January 2025
Chinese Academy of Sciences Fujian Institute of Research on the Structure of Matter, Key Laboratory of Structural Chemistry, CHINA.
One-step adsorptive purification of ethylene (C2H4) from ternary mixture comprising of acetylene (C2H2), ethylene (C2H4) and carbon dioxide (CO2) is a great challenge in the chemical industry. Herein, a microporous metal-organic framework (FJI-H38) has been reported, which possesses a high density of electronegative O/N binding sites and appropriate pore size. Notably, at 0.
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