thermodynamic calculation
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CORROSION ◽  
10.5006/3858 ◽  
2021 ◽  
Author(s):  
Wei Zhang ◽  
Bruce Brown ◽  
David Young ◽  
Stephen Smith ◽  
Sytze Huizinga ◽  
...  

The present work studies pit propagation in marginally sour environments and proposes a credible mechanism. Both thermodynamic calculation and experimental measurement confirmed that H2S can be oxidized by traces of dissolved O2 into SO42- and H+ in the aqueous solutions near room temperature with the transitional metal ions serving as a catalyst. This acidification phenomenon would be more effective near the steel surface, especially inside a pit, where Fe2+ ions are most abundant. Therefore, the saturation degree of mackinawite would be lower inside the pit, which would prohibit the pitting from annihilation.


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.


Minerals ◽  
2021 ◽  
Vol 11 (11) ◽  
pp. 1270
Author(s):  
Ulung Muhammad Sutopo ◽  
Erda Rahmilaila Desfitri ◽  
Yukio Hayakawa ◽  
Shinji Kambara

The issues of trace element emissions during coal combustion has been a concern in recent years due to their environmental pollutant. To study the trace element transformation, the thermodynamic calculation (FactSage 7.2) was used. Five kinds of pure mineral oxides (Al2O3, CaO, Fe2O3, K2O, and MgO) and As, B, Cr, F, and Se in fly ash were considered for trace elements. The results confirm that all mineral oxides have a good correlation with arsenic to form Ca3(AsO4)2, FeAsO4, K3AsO4, and Mg3(AsO4)2. Boron has a good relationship with Al, Ca, and Mg to form (Al2O3)9(B2O3)2, Ca3B2O6, and Mg3B2O6. Chromium has a good correlation with K and Ca to form K2CrO4, CaCr2O4. Furthermore, FeF3(s) KF(s), and AlF3(s) are predicted from the interaction of fluorine with Fe2O3, K2O, and Al2O3. The effect of mineral oxides on selenium partitioning are not observed. The inhibition order of trace elements by mineral oxides is as follow: As (Al2O3 > MgO > CaO > Fe2O3 > K2O), B (Al2O3, CaO, Fe2O3, K2O, > MgO), Cr (CaO > K2O > Al2O3, MgO, Fe2O3), F (CaO > MgO > Al2O3 > Fe2O3 > K2O). The results will be useful to control the trace element emissions.


2021 ◽  
Vol 27 (3) ◽  
pp. 109-113
Author(s):  
Ngoc Binh Duong ◽  
Quyen Vu ◽  
Trang Vu ◽  
Cuong Doan ◽  
Huy Tran

Thermodynamic and experimental studies was carried out on the process of Thanhhoa dolomite reduction to produce magnesium. Thermodynamically studied on the effect of pressure and temperature on reduction was carried out together with verification experiment. Results show that at appropriate temperature and vacuum pressure, Thanhhoa dolomite can be reduced using ferrosilicon as the reductant. The higher level of vacuum, the lower temperature required for reduction. Thermodynamic calculation pointed out that at a vacuum pressure of 600 Pa, the reduction temperature could be as low as 1140 °C. Experiment results indicated that at although reduction could be done at 1150 °C, the process efficiency was low, generally below 20%. Process efficiency enhanced as temperature increase and reaches the highest value of 85,8% at 1250 °C (25 wt.% ferrosilicon). The amount of ferrosilicon used also has influenced the process efficiency. After three hours of reduction, the obtained magnesium was very high in purity, 99.3%.


2021 ◽  
Vol 2036 (1) ◽  
pp. 012007
Author(s):  
M S Kurbanov ◽  
U M Nuraliev ◽  
S A Gubin ◽  
A V Kudinov ◽  
I V Maklashova

Calphad ◽  
2021 ◽  
Vol 74 ◽  
pp. 102285
Author(s):  
D. Su ◽  
M.H. Rong ◽  
K.C. Yang ◽  
Q.R. Yao ◽  
J. Wang ◽  
...  

Author(s):  
Tian Li ◽  
J. M. T. Davies ◽  
Xiangzhen Zhu

AbstractThe structure and evolution of oxide film in Mg alloys have been a research objective for a long time but are still unclear up to now. In the present work, the structure of the entrained oxide film (which is also known as bifilm) in Mg–Y alloy castings protected by SF6/air cover gas was characterized. It was found that the entrained oxide film can be divided into two typical types: (1) single-layered F-rich films and (2) double-layered films with a F-rich inner layer and a F-poor outer layer. Based on the experimental phenomena and thermodynamic calculation, the evolution mechanism of the oxide film was also revealed. It was found that F element from the cover gas reacted with the melt firstly to form the initial F-rich single-layered film. Then, O and S were also involved in the reaction, transforming the initial film to be a (F, O, S)-rich single-layered film. Finally, when the F element was depleted, the newly formed layer on the existing oxide film is characteristically F-poor but (O, S)-enriched, leading to a double-layered oxide film. It was also found that the oxide film grew faster in SF6/air cover gas than in SF6/CO2 cover gas, resulting in a higher repeatability of mechanical properties of Mg–Y alloy castings.


Author(s):  
Dali You ◽  
Christian Bernhard ◽  
Peter Mayer ◽  
Josef Fasching ◽  
Gerald Kloesch ◽  
...  

AbstractA tapping process model of the steel from the basic oxygen furnace (BOF) addressing the reactions in the ladle is proposed. In the model, the effective equilibrium reaction zone (EERZ) method is applied to describe the steel/slag interfacial reaction. The equilibrium reactions in the bulk steel (steel/inclusion/lining wear) and slag (liquid slag/slag additions/lining wear) are considered. The thermodynamic library—ChemApp is used to perform thermodynamic calculation. The process model includes most of the actions during the tapping process, such as the additions of ferroalloys and slag formers, carryover slag entrapment and air pick-up. After the calibration by the industrial measurements of two plants, the model is applied to study the influence of the amount of carryover slag.


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