Dissolution behavior, thermodynamic and kinetic analysis of malonamide by experimental measurement and molecular simulation

Yang, Peng; Jia, Shengzhe; Wang, Yan; Li, Zongqiu; Wu, Songgu; Wang, Jingkang; Gong, Junbo

doi:10.1016/j.cjche.2022.03.012

Cited by 3 publications

(3 citation statements)

References 42 publications

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“…As can be seen from the figure, the structure of the ligand is slightly distorted, which may be due to the electrical effect and coordination of the ligand on the metal atom; it also affects the surface electrostatic potential of the molecular structure. Due to the hydrogen bond receptors, the three compounds can hydrogen bond with a variety of solvents, thus promoting the solute to dissolve …”

Section: Methodsmentioning

confidence: 99%

See 1 more Smart Citation

Solid–Liquid Equilibrium and Thermodynamic Analysis of Transition Metal Complexes Supported by Bis(imino)pyridine in Different Solvents

Li,

Ma,

Zhang

et al. 2024

J. Chem. Eng. Data

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In this work, a static analysis method was used to measure the solubility data of L 1 (1) (L 1 = 2, 6-bis{1-[(2isopropylphenyl)imino]ethyl}pyridine) in five pure solvents, andBased on the results of the experiment, it was concluded that the solubility of the three complexes also increased as the temperature increased. Eight thermodynamic models were used to correlate experimental solubility data. The results yielded a good fit with an average absolute relative deviation (ARD) of less than 3.5% and an average root mean square deviation (RMSD) of less than 0.15% for these models. In addition, the range of molecular electrostatic potentials of the three compounds was obtained by molecular electrostatic potential analysis. Reasons for solubility differences were analyzed by calculating the Hansen solubility parameters of L 1 . The solubility data measured in this paper can provide a theoretical basis and reference standard for the selection of reaction and recrystallization solvents in future experiments.

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Section: Methodsmentioning

confidence: 99%

“…Due to the hydrogen bond receptors, the three compounds can hydrogen bond with a variety of solvents, thus promoting the solute to dissolve. 17 2.5. Solubility Measurements.…”

Section: Molecular Electrostatic Potential Surface (Meps)mentioning

confidence: 99%

Solid–Liquid Equilibrium and Thermodynamic Analysis of Transition Metal Complexes Supported by Bis(imino)pyridine in Different Solvents

Li,

Ma,

Zhang

et al. 2024

J. Chem. Eng. Data

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show abstract

“…Currently, many researchers have explored and studied DS in chemical [42,43], agricultural [44][45][46], medical [47][48][49][50], smart cities [51,52], and more widely in manufacturing [53][54][55][56]. For example, Yang et al explored the solid structure, dissolution behavior, thermodynamic properties, and nucleation kinetics of malonamide using DS [57]. Du et al developed a three-dimensional computational fluid dynamics full-loop model with multiphase distribution to investigate the fluidization behavior and chemical looping gasification performance of a circulating fluidized bed using DS.…”

Section: Introductionmentioning

confidence: 99%

Research on Carbon Emission of Solar Grade Polysilicon Produced by Metallurgical Route Using Digital Simulation Technology

Yang,

Yu,

et al. 2023

Silicon

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Under the enormous pressure of carbon reduction, we need to have a clear understanding of the environmental impact of the energy-intensive and high-emission polysilicon industry. With the rapid development of technology, we now have the ability to monitor the inflow and outflow of materials in enterprises, so as to obtain the life cycle inventory required for environmental impact assessment. And solve the problems of large data collection workload and long working cycle encountered in conventional life cycle assessment. By combining digital simulation technology and life cycle assessment, we analyze carbon dioxide (CO 2 ) emission in each production process of 1 kg solar grade polysilicon (SoG-Si) by metallurgical route (MR) in detail. We not only analyze four typical production processes of MR, namely slag refining, hydrometallurgy, directional solidification and electron beam refining. The production process of metallurgical grade silicon is also analyzed. It is obtained that the production of 1 kg SoG-Si by MR will produce 69.77 kg CO 2 . The contribution analysis shows that the CO 2 produced by electron beam refining, metallurgical silicon smelting, secondary directional solidification and primary directional solidification is more significant, reaching 38.47%, 20.88%, 15.84% and 14.50%, respectively. The sensitivity analysis shows that the sensitivity of electric power in the process of electron beam refining, secondary directional solidification, primary directional solidification and metallurgical silicon smelting is significant, reaching 38.47%, 15.77%, 14.45% and 13.81%, respectively. In addition, according to the analysis results, the improvement suggestions to reduce CO 2 emission are given.

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Design of Optoelectronic Transformer for Its Application in Traveling Wave Protection of Power Grid

Xu,

2023

Journal of Nanoelectronics and Optoelectronics

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As an important foundational link of the power system, the reliable measurement and accurate data of the metering module are the important foundation and support for energy metering. As a new type of optoelectronic current transformer, magneto-optical crystal-based optoelectronic current transformer effectively avoids the defects of traditional electromagnetic current transformers and becomes an ideal equipment for measurement in power systems. This paper proposes an improvement method to enhance the temperature stability of optoelectronic current transformers, using a magneto-optical crystal sensor head based on Faraday effect to limit the fiber length to within 140 m. It considers the influence of a uniform temperature field on magneto-optical crystal materials to process data reasonably to ensure normal incidence of the incident beam. The magneto-optical crystal material in the non-uniform temperature field has non-uniform deformation due to thermal expansion and cold contraction. Here, a Karamay No. 45 cooling oil is used for filling and sealing. In the experiment, the temperature stability of the current transformer is tested. Firstly, the wiring method is designed. Then, the corresponding test system is designed. After improvement, there is no drift phenomenon in the ratio difference and angle difference of all points of the photoelectric current transformer within the testing temperature range, and the error difference is stable. The principle of identifying faults within the area is elaborated, and a directional longitudinal traveling wave protection method for direct-current transmission lines is designed based on the differential output characteristics of the designed photoelectric transformer. Through experiments, the transformer in this design can effectively identify potential traveling wave fault types and fault phases.

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Dissolution behavior, thermodynamic and kinetic analysis of malonamide by experimental measurement and molecular simulation

Cited by 3 publications

References 42 publications

Solid–Liquid Equilibrium and Thermodynamic Analysis of Transition Metal Complexes Supported by Bis(imino)pyridine in Different Solvents

Solid–Liquid Equilibrium and Thermodynamic Analysis of Transition Metal Complexes Supported by Bis(imino)pyridine in Different Solvents

Research on Carbon Emission of Solar Grade Polysilicon Produced by Metallurgical Route Using Digital Simulation Technology

Design of Optoelectronic Transformer for Its Application in Traveling Wave Protection of Power Grid

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