Comment on “Thermodynamic Modelling for Solubility of 3-Methyl-2-nitrobenzoic Acid in Nine Organic Solvents from T (283.15–318.15 K) and Dissolution Properties”
Sign Up to like & getrecommendations! Published in 2019 at "Journal of Solution Chemistry"
DOI: 10.1007/s10953-019-00851-9
Abstract: Questions are raised regarding whether or not the curve-fit equation coefficients reported by He and cowokers for the Kamlet and Taft linear solvent energy relationship model are meaningful. One of the calculated coefficients suggests that… read more here.
Keywords: comment thermodynamic; thermodynamic modelling; methyl nitrobenzoic; solubility methyl ... See more keywords
Thermodynamic Modelling for Design of Synthetic Slag for Inclusion Removal
Sign Up to like & getrecommendations! Published in 2019 at "Transactions of the Indian Institute of Metals"
DOI: 10.1007/s12666-019-01585-4
Abstract: Enhancement in steel cleanliness is essential for high-performance steels for their high-end applications in structural, automotive, defence and strategic sectors. The non-metallic inclusions play a decisive role in clean steelmaking. The inclusions have to be… read more here.
Keywords: inclusion removal; thermodynamic modelling; inclusion; design synthetic ... See more keywords
Thermodynamic modelling of the methanation process with affinity constraints
Sign Up to like & getrecommendations! Published in 2017 at "Fuel"
DOI: 10.1016/j.fuel.2017.02.029
Abstract: Abstract A constrained thermodynamic model was developed in order to describe the product gas composition of a methanation process. The non-equilibrium affinities of CO 2 and CO methanation reactions were applied as additional constraints to… read more here.
Keywords: methodology; thermodynamic modelling; methanation process; affinity ... See more keywords
Enhanced thermodynamic modelling for hydrothermal liquefaction
Sign Up to like & getrecommendations! Published in 2021 at "Fuel"
DOI: 10.1016/j.fuel.2021.120796
Abstract: Abstract Hydrothermal liquefaction is a promising technology to produce drop-in biofuels from wet biomasses. In this paper a thermodynamic analysis, including chemical equilibrium and gas–liquid equilibrium in high-pressure conditions was conducted. The chemical equilibrium model… read more here.
Keywords: enhanced thermodynamic; equilibrium; modelling hydrothermal; hydrothermal liquefaction ... See more keywords
Thermodynamic modelling of the Ni–Zr system
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DOI: 10.1016/j.intermet.2019.106640
Abstract: Abstract In this work, we report the thermodynamic modelling of the Ni–Zr system using the Calphad method combined with ab initio calculations. Density functional theory (DFT) is employed to calculate the enthalpy of formation of… read more here.
Keywords: agreement; thermodynamic modelling; system; experimental data ... See more keywords
Thermodynamic modelling of a six component (C-Co-Cr-Ni-Ta-W) system for the simulation of Cobalt based alloys
Sign Up to like & getrecommendations! Published in 2018 at "Journal of Alloys and Compounds"
DOI: 10.1016/j.jallcom.2017.09.327
Abstract: Abstract Co-based alloys are key materials for several high temperature applications where high corrosion and wear resistance are required. Main alloying elements, in addition to Co, are Cr, Ni, Ta, Mo, W, Ti, Al, etc.… read more here.
Keywords: component system; thermodynamic modelling; modelling six; six component ... See more keywords
Thermodynamic re-modelling of the ternary Al–Mo–Ti system based on novel experimental data
Sign Up to like & getrecommendations! Published in 2018 at "Journal of Alloys and Compounds"
DOI: 10.1016/j.jallcom.2018.03.283
Abstract: Abstract In the present paper, the complete ternary Al–Mo–Ti system is thermodynamically modelled based on novel experimental information reported in the literature within the past few years. A series of key experiments were performed in… read more here.
Keywords: thermodynamic modelling; based novel; experimental data; novel experimental ... See more keywords
Thermodynamic modelling of the reduction of a saprolitic laterite ore by methane
Sign Up to like & getrecommendations! Published in 2018 at "Minerals Engineering"
DOI: 10.1016/j.mineng.2018.02.006
Abstract: Abstract The recovery of nickel from the sulphide deposits is becoming more expensive and thus increasing attention is being paid to the nickeliferous laterite ores. One option being considered for the extraction of nickel would… read more here.
Keywords: reduction; thermodynamic modelling; saprolitic laterite; methane ... See more keywords
Thermodynamic modelling of ultra-high vacuum thermal decomposition for lunar resource processing
Sign Up to like & getrecommendations! Published in 2021 at "Planetary and Space Science"
DOI: 10.1016/j.pss.2021.105272
Abstract: Abstract This study presents a theoretical pathway to the production of sodium and potassium metal from lunar regolith at ambient lunar conditions via the selective thermal decomposition of oxides in the regolith using concentrated solar… read more here.
Keywords: decomposition; thermal decomposition; lunar; modelling ultra ... See more keywords
Thermodynamic modelling of synthetic communities predicts minimum free energy requirements for sulfate reduction and methanogenesis
Sign Up to like & getrecommendations! Published in 2020 at "Journal of the Royal Society Interface"
DOI: 10.1098/rsif.2020.0053
Abstract: Microbial communities are complex dynamical systems harbouring many species interacting together to implement higher-level functions. Among these higher-level functions, conversion of organic matter into simpler building blocks by microbial communities underpins biogeochemical cycles and animal… read more here.
Keywords: thermodynamic modelling; energy; synthetic communities; energy requirements ... See more keywords
Thermodynamic Modelling of Sulphide Capacity of Ternary Silicate Slags
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DOI: 10.2355/isijinternational.isijint-2020-676
Abstract: The understanding of the thermodynamics of slags has become extremely important due to the higher demands on steel qualities in terms of the presence of impurities such as sulphur.1–3) The sulphide capacity (CS) of liquid… read more here.
Keywords: silicate; capacity ternary; sulphide capacity; modelling sulphide ... See more keywords