Determination of binary diffusion coefficients in supercritical chlorotrifluoromethane and sulphurhexafluoride with supercritical fluid chromatography (SFC)

Kopner, A.; Hamm, Adam; Ellert, J.; Feist, Reinhard; Schneider, Gerhard

doi:10.1016/0009-2509(87)85043-1

Cited by 59 publications

(9 citation statements)

References 11 publications

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“…(4) In other supercritical fluids by the Taylor dispersion method [86][87][88][89][90]. (5) In a dense fluid mixture by the Taylor dispersion method [30,[55][56][57][58][59][60][61][62][63].…”

Section: Data Sourcesmentioning

confidence: 99%

Impulse response techniques to measure binary diffusion coefficients under supercritical conditions

Funazukuri

Kong

Kagei

2004

Journal of Chromatography A

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Section: Data Sourcesmentioning

confidence: 99%

Impulse response techniques to measure binary diffusion coefficients under supercritical conditions

Funazukuri

Kong

Kagei

2004

Journal of Chromatography A

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“…Sulfur dioxide, sulfur hexafluoride and chloro fluorocarbons are interesting mobile phases due to their usefulness when coupled to a flame ionization detector (FID), particularly sulfur dioxide in the study of hydrocarbons. However, because of their ozone depleting effect, their use is restricted [16][17][18][19].…”

Section: Mobile Phases and Solutesmentioning

confidence: 99%

Bioanalytical Applications Using Supercritical Fluid Techniques

2009

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The bioanalytical applications of supercritical fluid techniques, such as supercritical fluid extraction (SFE) and supercritical fluid chromatography (SFC), are of increasing interest. The main role of these techniques is in the sample preparation and separation of biologically active compounds, particularly drugs and their metabolites, as well as endogenous compounds. An insight is given into the different types of extracting fluids and modifiers, detectors, stationary phases, mobile phases and collection strategies. A critical discussion is presented on the existing state of the art concerning the applications of SFC and SFE with a specific focus on its advantages and limitations in the bioanalytical field. New developments and the possibilities for routine work in the near future are also covered.

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“…A program that allows the estimation of diffusivities in polar and nonpolar systems is provided in the Supplementary Material, along with instructions on its use. [80]…”

Section: Detailed Comparison Of ML Gradient Boosted and Classic Modelsmentioning

confidence: 99%

Predictive Models for the Binary Diffusion Coefficient at Infinite Dilution in Polar and Nonpolar Fluids

2021

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Experimental diffusivities are scarcely available, though their knowledge is essential to model rate-controlled processes. In this work various machine learning models to estimate diffusivities in polar and nonpolar solvents (except water and supercritical CO2) were developed. Such models were trained on a database of 90 polar systems (1431 points) and 154 nonpolar systems (1129 points) with data on 20 properties. Five machine learning algorithms were evaluated: multilinear regression, k-nearest neighbors, decision tree, and two ensemble methods (random forest and gradient boosted). For both polar and nonpolar data, the best results were found using the gradient boosted algorithm. The model for polar systems contains 6 variables/parameters (temperature, solvent viscosity, solute molar mass, solute critical pressure, solvent molar mass, and solvent Lennard-Jones energy constant) and showed an average deviation (AARD) of 5.07%. The nonpolar model requires five variables/parameters (the same of polar systems except the Lennard-Jones constant) and presents AARD = 5.86%. These results were compared with four classic models, including the 2-parameter correlation of Magalhães et al. (AARD = 5.19/6.19% for polar/nonpolar) and the predictive Wilke-Chang equation (AARD = 40.92/29.19%). Nonetheless Magalhães et al. requires two parameters per system that must be previously fitted to data. The developed models are coded and provided as command line program.

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Determination of binary diffusion coefficients in supercritical chlorotrifluoromethane and sulphurhexafluoride with supercritical fluid chromatography (SFC)

Cited by 59 publications

References 11 publications

Impulse response techniques to measure binary diffusion coefficients under supercritical conditions

Impulse response techniques to measure binary diffusion coefficients under supercritical conditions

Bioanalytical Applications Using Supercritical Fluid Techniques

Predictive Models for the Binary Diffusion Coefficient at Infinite Dilution in Polar and Nonpolar Fluids

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