thermodynamic calculations
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Author(s):  
Ameer Awad Ebrahim Osman

This paper represented a result of several visions of chemical phenomenon and several extractions and extrapolations of experimental works which included a relationship between energy related to a  chemical process and the relevant time which is required to achieve this process, but it must be taken into account that those mentioned experimental works hadn’t aimed substantially to study and state this relationship neither implicitly nor explicitly, but the results of those works have been exploited for another field after being compared with the relevant thermodynamic calculations. The  selected case study for this paper was the relation between the burning time of Hydroxyl terminated poly butadiene propellant ( HTPB)  and the caloric value of this material. The results reflected some relationship between the burning time and the change of the system energy during the burning process.


Crystals ◽  
2021 ◽  
Vol 11 (12) ◽  
pp. 1551
Author(s):  
Jaka Burja ◽  
Barbara Šetina Batič ◽  
Tilen Balaško

Lightweight Fe-Mn-Al-C steels have low density, and high mechanical properties, which makes them a possibility for weight reduction in vehicles for road transport. In steel production, as-cast microstructure is an important parameter for further processing. The as-cast microstructure of five lightweight duplex steels was investigated: Fe-15Mn-10Al-0.8C, Fe-15Mn-10Al-1.7Ni-0.8C, Fe-15Mn-10Al-3.9Ni-0.8C, Fe-15Mn-10Al-5.6Ni-0.8C and Fe-15Mn-10Al-8.6Ni-0.8C. The influence of Ni was analysed through thermodynamic calculations and microstructural characterization. The samples were analysed through an optical and electron microscopy. The base microstructure of the studied steel consists of ferrite and austenite. Further investigation showed that the decomposition of austenite was accompanied by the formation of kappa carbides and the B2 ordered phase. The addition of Ni prevented the formation of a lamellar kappa ferrite morphology, but at 5.6 wt.% Ni, the decomposition of austenite was most severe, resulting in a large amount of kappa carbides and a B2 ordered phase.


2021 ◽  
Vol 22 (4) ◽  
pp. 531-538
Author(s):  
V. Z. Turkevych ◽  
Yu. Yu. Rumiantseva ◽  
I. О. Hnatenko ◽  
I. O. Hladkyi ◽  
Yu. I. Sadova

This paper presents results of melting-diagrams’ calculations for the Fe–N and Fe–Ga systems at atmospheric pressure (0.1 MPa) and at high pressures (3, 5, and 7 GPa). Thermodynamic calculations are performed within the models of phenomenological thermodynamics. As shown, the increase of pressure results in destabilization of high-temperature b.c.c.-Fe modification in Fe–N system and stabilization of Fe4N equilibrium with the liquid phase. In Fe–Ga system, the intermetallic compounds Fe3Ga, Fe6Ga5, Fe3Ga4, and FeGa3 retain their stability up to pressure of 7 GPa. The stabilization of Fe4N equilibrium with the liquid phase at high pressures indicates that the Fe4N can be a competing phase in the gallium-nitride crystallization from the Fe–Ga–N system melt.


2021 ◽  
Vol 28 (6) ◽  
Author(s):  
Damien Prieur ◽  
Marie-Margaux Desagulier ◽  
Daniel R. Neuville ◽  
Christine Guéneau ◽  
Enrica Epifano ◽  
...  

The U–O phase diagram is of paramount interest for nuclear-related applications and has therefore been extensively studied. Experimental data have been gathered to feed the thermodynamic calculations and achieve an optimization of the U–O system modelling. Although considered as well established, a critical assessment of this large body of experimental data is necessary, especially in light of the recent development of new techniques applicable to actinide materials. Here we show how in situ X-ray absorption near-edge structure (XANES) is suitable and relevant for phase diagram determination. New experimental data points have been collected using this method and discussed in regard to the available data. Comparing our experimental data with thermodynamic calculations, we observe that the current version of the U–O phase diagram misses some experimental data in specific domains. This lack of experimental data generates inaccuracy in the model, which can be overcome using in situ XANES. Indeed, as shown in the paper, this method is suitable for collecting experimental data in non-ambient conditions and for multiphasic systems.


2021 ◽  
Vol 104 (4) ◽  
Author(s):  
Gargi Agrahari ◽  
Abhijit Chatterjee

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