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18
datasets available to search
ShareScore release 0.9.0
Dataset results
18 results for “SAFT”
Dataset for "Modeling Dipolar Nonprotogenic Solvents with PC-SAFT-Type Equations of State: Pure Substance Properties"
<p>Dipolar nonprotogenic solvents (DNS) are important chemical substances used across a wide range of applications, including renewable green solvent media, sustainable energy sources, and as efficient solvents for fabricating and processing semiconductive materials used in organic photovoltaics. Therefore, for efficient solvent screening or process design, a description and prediction of the thermodynamic properties of DNS using thermodynamic models is essential. This dataset contains calculation results of four different modeling strategies within the PC-SAFT equation of state for pure-substance properties of six DNSs: gamma-valerolactone, propylene carbonate, acetonitrile, dihydrolevoglucosenone, 1-methyl-2-pyrrolidone, and sulfolane. The modeling strategies differ in the treatment of the strong dipolar interactions of DNSs. The pure-substance properties include liquid density, vapor pressure, enthalpy of vaporization, and residual isobaric liquid heat capacity. The PC-SAFT performance was analyzed and evaluated based on the calculated data. Additionally, the dataset includes input files for quantum mechanical calculations of optimal molecular geometries and dipole moments of the considered DNSs using Gaussian 16 software.</p>
Dataset: Safety Insurance Group, Inc. (SAFT) Stock Performance
This dataset provides historical stock market performance data for specific companies. It enables users to analyze and understand the past trends and fluctuations in stock prices over time. This information can be utilized for various purposes such as investment analysis, financial research, and market trend forecasting.
Data points for "Modelling sorption of hydrocarbons in polyethylene with the SAFT-γ Mie approach combined with a statistical-mechanical model to describe semi-crystalline polymers"
<p>A variety of thermodynamic calculations (VLE, sorption isotherms, etc.) performed with a combination of the SAFT-γ equation of state and a novel model to account for the constraints affecting the amorphous domains in semi-crystalline polyethylene (PE). Please refer to the original article (published in Macromolecules) for the bibliography and more details.</p>
Multi-objective optimization of equation of state molecular parameters: SAFT-VR Mie models for water
<p>Supporting document containing information on the Pareto points and thermodynamic calculations.</p>
Permittivity modeling in electrolyte PC-SAFT
<p>Diagrams of mean ionic activity coefficients and osmotic coefficients over molality for the publication "Permittivity modeling in electrolyte PC-SAFT" published under DOI <a href="https://doi.org/10.1021/acs.jced.4c00347">10.1021/acs.jced.4c00347</a> in the Journal of Chemical and Engineering Data.</p>
Modeling the thermodynamic properties of saturated lactones in non-ideal mixtures with the SAFT-γ Mie approach. JCED 2023
<p>All computational data in the publication.</p>
SAFT-gamma Mie parameters and data: Haslam et al. JCED 2020
<p>SAFT-<span class="math-tex">\(\gamma\)</span> Mie parameters, and calculated data relating to figures in Haslam et al. JCED 2020</p>
Modelling and prediction of the thermophysical properties of aqueous mixtures of choline geranate and geranic acid (CAGE) using SAFT-g Mie
<p>Calculated and experimental data for all the figures in the publication </p>
Beyond the mean-field approximation for pair correlations in classical density functional theory: reference inhomogeneous non-associating monomeric fluids for use with SAFT-VR Mie DFT. JCP 2024
<p>All DFT calculations and molecular simulation data in the publication.</p>
Predicting the solubility of amino acids and peptides with the SAFT-γ Mie approach: Neutral and charged models
<p>Calculated data accompanying the IECR 2024 publication "Predicting the Solubility of Amino Acids and Peptides with the SAFT‑γ Mie Approach: Neutral and Charged Models", by Ahmed Alyazidi, Shubhani Paliwal, Felipe A. Perdomo, Amy Mead, Mingxia Guo, Jerry Y. Y. Heng, Thomas Bernet, Andrew Haslam, Claire S. Adjiman, George Jackson, and Amparo Galindo. </p>
Data points for "Modelling the thermodynamic properties of the mixture of water and polyethylene glycol (PEG) with the SAFT-γ Mie group-contribution approach
<p>A variety of thermodynamic calculations (LLE, enthalpy of mixing, etc.) performed with the SAFT-γ Mie equation of state on polyethylene glycol (PEG) + water mixtures. Please refer to the original article (published in Fluid Phase Equilibria) for the bibliography and more details.</p>
A predictive group-contribution framework for the thermodynamic modelling of CO2 absorption in cyclic amines, alkyl polyamines, alkanolamines and phase-change amines: new data and SAFT- gamma Mie parameters.FPE 2022
<p>All data in the figures in the publication. </p>
Modelling the phase and chemical equilibria of aqueous solutions of alkanolamines and carbon dioxide using the SAFT-gamma SW group contribution approach
p>All computational data for figures presented in the publication/p>
The development of unlike induced association-site models to study the phase behaviour of aqueous mixtures comprising acetone, alkanes and alkyl carboxylic acids with the SAFT-g Mie group contribution methodology
<p>All computational data presented in the figures.</p>
Application of the SAFT- g Mie group contribution equation of state to fluids of relevance to the oil and gas industry
<p>Calculated data for all the figures presented in publication.</p>
Modeling the thermodynamic properties of cyclic alcohols with the SAFT-gamma Mie approach: application to cyclohexanol and menthol systems. Mol.Phys. 2024
<p>Calculated data and supporting information associated with Bernet et al. publication in Mol. Phys. 2024; Thomas Bernet, Shubhani Paliwal, Ahmed Alyazidi, Riccardo Standish, Andrew J. Haslam, Claire S. Adjiman, George Jackson, and Amparo Galindo</p> <p> </p>
A Randomised Trial on the Saftely and Efficacy of GR270774 in the Treatment of Gram-negative Sepsis in Adult
ClinicalTrials.gov study NCT00563134. IPD Sharing: Not stated. Countries: 1. Publications: 0.
Development of intermolecular potential models for electrolyte solutions using an electrolyte SAFT-VR Mie equation of state
<p>All computational data presented in the figures of the publication.</p>
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