Thermodynamic Calculations for the Investigation of Phase Formation in Boron-Modified Ferritic Stainless Steel
Sign Up to like & getrecommendations! Published in 2017 at "Journal of Phase Equilibria and Diffusion"
DOI: 10.1007/s11669-017-0550-y
Abstract: Thermodynamic calculations in equilibrium condition were used to investigate the phase formation sequence and microstructure formation in a boron-modified ferritic stainless steel. The results were also compared with spray forming experimental heats. The thermodynamic calculations… read more here.
Keywords: thermodynamic calculations; phase; boron modified; formation boron ... See more keywords
Quantum chemical and thermodynamic calculations of fulvic and humic copper complexes in reactions of malachite and azurite formation
Sign Up to like & getrecommendations! Published in 2017 at "Applied Geochemistry"
DOI: 10.1016/j.apgeochem.2017.02.002
Abstract: Abstract This article provides a thermodynamic evaluation of the reactions of humic and fulvic acids in the process of malachite and azurite mineralogenesis. Semi-empirical methods AM/1, MNDO, PM3, PM5, PM6 and PM7 were used to… read more here.
Keywords: thermodynamic calculations; copper complexes; formation; malachite azurite ... See more keywords
Anhydrite solubility in low-density hydrothermal fluids: Experimental measurements and thermodynamic calculations
Sign Up to like & getrecommendations! Published in 2019 at "Chemical Geology"
DOI: 10.1016/j.chemgeo.2019.06.018
Abstract: Abstract Thermodynamic predictions of fluid-mineral equilibria significantly expand our ability to test hypotheses regarding mass and heat transfer in geological systems. In many cases, successful development of thermodynamic models relies heavily on experimental measurements. A… read more here.
Keywords: thermodynamic calculations; fluid mineral; density; solubility ... See more keywords
Sintering behavior and mechanical properties of Cr3C2 doped ultra-fine WC-Co cemented carbides: Experment guided with thermodynamic calculations
Sign Up to like & getrecommendations! Published in 2019 at "International Journal of Refractory Metals and Hard Materials"
DOI: 10.1016/j.ijrmhm.2018.09.014
Abstract: Abstract The influence of Cr3C2 doping on the sintering process and mechanical properties of WC-Co cemented carbides was studied. Using differential thermal analysis of green powders and thermodynamic calculations, the disappearing temperature of solid-state binder… read more here.
Keywords: thermodynamic calculations; cr3c2 doped; mechanical properties; cemented carbides ... See more keywords
Solid-solubilities of grain-growth inhibitors in WC-Ni-based cemented carbides: experimental investigations and thermodynamic calculations
Sign Up to like & getrecommendations! Published in 2020 at "Journal of materials research and technology"
DOI: 10.1016/j.jmrt.2020.07.048
Abstract: Abstract Cr3C2, TaC and VC are the most widely used grain growth inhibitors (GGIs) in cemented carbides. The inhibition effectiveness and the formation of brittle carbides by over-doping these GGIs are closely associated with their… read more here.
Keywords: thermodynamic calculations; cemented carbides; growth inhibitors; grain growth ... See more keywords
Understanding the bottom buildup in an electric copper smelting furnace by thermodynamic calculations
Sign Up to like & getrecommendations! Published in 2019 at "Canadian Metallurgical Quarterly"
DOI: 10.1080/00084433.2018.1518804
Abstract: ABSTRACT Thermodynamic calculations were used to investigate the liquidus temperature of the slag and the possible influence on the buildup formation in an electric copper smelting furnace. The impact of parameters such as Fe/SiO2 ratio,… read more here.
Keywords: buildup; slag; thermodynamic calculations; smelting furnace ... See more keywords
Thermodynamic calculations using reverse Monte Carlo.
Sign Up to like & getrecommendations! Published in 2021 at "Physical Review E"
DOI: 10.1103/physreve.104.044129
Abstract: We introduce the theoretical background needed to perform thermodynamic calculations using reverse Monte Carlo (RMC). The theory is developed for binary A_{x}B_{1-x} lattice systems. The main assumption is that the arrangement of A and B… read more here.
Keywords: thermodynamic calculations; reverse monte; monte carlo; calculations using ... See more keywords
Experimental analysis and thermodynamic calculations of an additively manufactured functionally graded material of V to Invar 36
Sign Up to like & getrecommendations! Published in 2018 at "Journal of Materials Research"
DOI: 10.1557/jmr.2018.92
Abstract: Functionally graded materials (FGMs) in which the elemental composition intentionally varies with position can be fabricated using directed energy deposition additive manufacturing (AM). This work examines an FGM that is linearly graded from V to… read more here.
Keywords: analysis thermodynamic; phase; thermodynamic calculations; functionally graded ... See more keywords
A New Perspective on Fluorapatite Dissolution in Hydrochloric Acid: Thermodynamic Calculations and Experimental Study
Sign Up to like & getrecommendations! Published in 2021 at "Inorganics"
DOI: 10.3390/inorganics9080065
Abstract: Apatite (Ap) dissolution in diluted acids is well described in the literature, but in technological processes which use more concentrated acids, the reaction is fast, and it is complicated to follow the process kinetics. The… read more here.
Keywords: thermodynamic calculations; fluorapatite dissolution; dissolution; dissolution rate ... See more keywords
Efficient Biocatalytic Synthesis of Dihalogenated Purine Nucleoside Analogues Applying Thermodynamic Calculations
Sign Up to like & getrecommendations! Published in 2020 at "Molecules"
DOI: 10.3390/molecules25040934
Abstract: The enzymatic synthesis of nucleoside analogues has been shown to be a sustainable and efficient alternative to chemical synthesis routes. In this study, dihalogenated nucleoside analogues were produced by thermostable nucleoside phosphorylases in transglycosylation reactions… read more here.
Keywords: thermodynamic calculations; dihalogenated nucleoside; biocatalytic synthesis; efficient biocatalytic ... See more keywords