Derivations of Partial Molar Excess Gibbs Energy of Mixing Expressions for Common Thermodynamic Models
Sign Up to like & getrecommendations! Published in 2021 at "Journal of Phase Equilibria and Diffusion"
DOI: 10.1007/s11669-021-00886-w
Abstract: Modern computational thermodynamics methods rely on the use of numerical models that represent chemical systems. Typically, these models are formulated in terms of the Gibbs energy, which must be minimised to find the conditions of… read more here.
Keywords: gibbs energy; partial molar; derivations partial; energy ... See more keywords
Comparison between a soft computing model and thermodynamic models for prediction of phase equilibria in binary mixtures containing 1-alkanol, n-alkane, and CO2
Sign Up to like & getrecommendations! Published in 2020 at "Fluid Phase Equilibria"
DOI: 10.1016/j.fluid.2019.112307
Abstract: Abstract In the present work, vapor-liquid equilibrium (VLE) for binary systems containing 1-alkanols, n-alkanes and CO2 were examined to compare the predictions of a soft computing model namely least square support vector machine optimized by… read more here.
Keywords: computing model; phase equilibria; thermodynamic models; model ... See more keywords
Investigation of using different thermodynamic models on prediction ability of mutual diffusion coefficient model
Sign Up to like & getrecommendations! Published in 2017 at "Journal of Molecular Liquids"
DOI: 10.1016/j.molliq.2017.08.069
Abstract: Abstract The aim of this study is to improve the new model for prediction of mutual diffusion coefficient in non-ideal, concentrated liquid solutions by applying two thermodynamic models (NRTL and Wilson) to estimate the derivative… read more here.
Keywords: diffusion; diffusion coefficient; thermodynamic models; model ... See more keywords
Dynamic and thermodynamic models of adaptation.
Sign Up to like & getrecommendations! Published in 2021 at "Physics of life reviews"
DOI: 10.1016/j.plrev.2021.03.001
Abstract: The concept of biological adaptation was closely connected to some mathematical, engineering and physical ideas from the very beginning. Cannon in his "The wisdom of the body" (1932) systematically used the engineering vision of regulation.… read more here.
Keywords: energy; dynamic thermodynamic; thermodynamic models; adaptation ... See more keywords
Thermodynamic gE Models and Equations of State for Electrolytes in a Water-Poor Medium: A Review
Sign Up to like & getrecommendations! Published in 2020 at "Journal of Chemical & Engineering Data"
DOI: 10.1021/acs.jced.0c00812
Abstract: Research on the thermodynamics of electrolytes is timeless, and modeling an electrolyte solution might be considered to be a golden oldie, which was, is, and will be important in the design of proc... read more here.
Keywords: electrolytes water; equations state; state electrolytes; thermodynamic models ... See more keywords
Optimizing Thermodynamic Models: The Relevance of Molar Fraction Uncertainties
Sign Up to like & getrecommendations! Published in 2017 at "Journal of Chemical & Engineering Data"
DOI: 10.1021/acs.jced.6b00853
Abstract: Parameters contained in thermodynamic models are usually optimized over vapor–liquid equilibrium data of binary systems, applying methods that enable consideration of the uncertainty of experimental data, such as the Maximum Likelihood Method (MLM). However, authors… read more here.
Keywords: uncertainty; relevance molar; thermodynamic models; optimizing thermodynamic ... See more keywords
Measurements and Thermodynamic Models for the Separation of 2-Methoxyethanol and Water Azeotropic Mixtures via Different Solvents
Sign Up to like & getrecommendations! Published in 2017 at "Journal of Chemical & Engineering Data"
DOI: 10.1021/acs.jced.7b00160
Abstract: This work reveals experimental liquid–liquid equilibria (LLE) for ternary systems of (2-methoxyethanol + water + solvents) with methyl tert-butyl ether, ethyl acetate, and trichloromethane at 313.15 K and dichloromethane as solvent at 298.15 K under… read more here.
Keywords: models separation; measurements thermodynamic; water; thermodynamic models ... See more keywords
Thermodynamic Models for Assembly of Intrinsically Disordered Protein Hubs with Multiple Interaction Partners.
Sign Up to like & getrecommendations! Published in 2021 at "Journal of the American Chemical Society"
DOI: 10.1021/jacs.1c00811
Abstract: Prevalent in diverse protein interactomes, intrinsically disordered proteins or regions (IDPs or IDRs) often drive assembly of higher-order macromolecular complexes, using multiple target-binding motifs. Such IDP hubs are suggested to process various cellular signals and… read more here.
Keywords: protein; hubs multiple; thermodynamic models; models assembly ... See more keywords
Thermodynamic models applied to CO2 absorption modelling
Sign Up to like & getrecommendations! Published in 2020 at "Reviews in Chemical Engineering"
DOI: 10.1515/revce-2019-0058
Abstract: Carbon capture, utilisation, and storage (CCUS) is considered as the least cost-intensive option towards achieving the emission reduction target by 2050. One of the important technologies to remove CO2 from different gas streams is solvent-based… read more here.
Keywords: co2 capture; models applied; thermodynamic models; based co2 ... See more keywords
Prediction of Phase Behavior of Spray-Dried Amorphous Solid Dispersions: Assessment of Thermodynamic Models, Standard Screening Methods and a Novel Atomization Screening Device with Regard to Prediction Accuracy
Sign Up to like & getrecommendations! Published in 2018 at "Pharmaceutics"
DOI: 10.3390/pharmaceutics10010029
Abstract: The evaluation of drug–polymer miscibility in the early phase of drug development is essential to ensure successful amorphous solid dispersion (ASD) manufacturing. This work investigates the comparison of thermodynamic models, conventional experimental screening methods (solvent… read more here.
Keywords: screening device; screening methods; thermodynamic models; amorphous solid ... See more keywords