Search results for "solution"
showing 10 items of 5638 documents
The use of core-shell high-performance liquid chromatography column technology to improve biogenic amine quantification in wine
2015
BACKGROUND HPLC column technology has been improved, providing better resolution of closely eluting compounds, better analyte sensitivity, and shorter analysis times. The core-shell technology columns offer a faster analysis through the use of shorter columns without compromising resolution. The aim of this work was to improve the methods for determination of biogenic amines (BAs) in wine using the new HPLC PFP core-shell column technology. RESULTS Two different elution programs were designed to quantify BAs with the core-shell PFP column. Program I flow rate was 2 mL min−1. The total elution time was 10 min. In elution program II, the flow rate was 0.8 mL min−1 and the total elution time w…
Resolution of the ATLAS muon spectrometer monitored drift tubes in LHC Run 2
2019
The momentum measurement capability of the ATLAS muon spectrometer relies fundamentally on the intrinsic single-hit spatial resolution of the monitored drift tube precision tracking chambers. Optimal resolution is achieved with a dedicated calibration program that addresses the specific operating conditions of the 354 000 high-pressure drift tubes in the spectrometer. The calibrations consist of a set of timing offsets and drift time to drift distance transfer relations, and result in chamber resolution functions. This paper describes novel algorithms to obtain precision calibrations from data collected by ATLAS in LHC Run 2 and from a gas monitoring chamber, deployed in a dedicated gas fac…
Human Simulation: A Transdisciplinary Approach to Studying Societal Problems
2019
In this chapter, we present a transdisciplinary framework where humanities scholars, social scientists, and engineers can work together to tackle large and complex societal problems. We identify the steps required to construct a human simulation model and the concerns and issues that must be addressed to ensure success. We also present some basic definitions and assumptions inherent to developing this sort of model.
Kirkwood-Buff integrals from molecular simulation
2019
The Kirkwood-Buff (KB) theory provides a rigorous framework to predict thermodynamic properties of isotropic liquids from the microscopic structure. Several thermodynamic quantities relate to KB integrals, such as partial molar volumes. KB integrals are expressed as integrals of RDFs over volume but can also be obtained from density fluctuations in the grand-canonical ensemble. Various methods have been proposed to estimate KB integrals from molecular simulation. In this work, we review the available methods to compute KB integrals from molecular simulations of finite systems, and particular attention is paid to finite-size effects. We also review various applications of KB integrals comput…
Multi-Resolution error analysis of predicted absorption coefficients. Method and application to the infrared spectrum of methane at high temperature.
2010
La version V2 inclut les modifications proposées par les reviewers.; International audience; A general method for the estimation of the confidence interval of molecular absorption coefficients is presented. Statistical numerical experiments are implemented to quantify the propagation of errors from line parameters to absorption coefficients or cross-sections as a function of the resolution. The method uses line parameter predictions (position and intensity) with estimated uncertainties derived from global polyad models. This work is especially intended to provide expert information for applications requiring theoretical predictions for which the present state of the art of line by line high…
Thermolytic reverse electrodialysis heat engine: model development, integration and performance analysis
2019
Abstract Salinity gradient heat engines represent an innovative and promising way to convert low-grade heat into electricity by employing salinity gradient technology in a closed-loop configuration. Among the aqueous solutions which can be used as working fluid, ammonium bicarbonate-water solutions appear very promising due to their capability to decompose at low temperature. In this work, an experimentally validated model for a reverse electrodialysis heat engine fed with ammonium bicarbonate-water solutions was developed. The model consists of two validated sub-models purposely integrated, one for the reverse electrodialysis unit and the other for the stripping/absorption regeneration uni…
Gradient design for liquid chromatography using multi-scale optimization.
2017
Abstract In reversed phase-liquid chromatography, the usual solution to the “general elution problem” is the application of gradient elution with programmed changes of organic solvent (or other properties). A correct quantification of chromatographic peaks in liquid chromatography requires well resolved signals in a proper analysis time. When the complexity of the sample is high, the gradient program should be accommodated to the local resolution needs of each analyte. This makes the optimization of such situations rather troublesome, since enhancing the resolution for a given analyte may imply a collateral worsening of the resolution of other analytes. The aim of this work is to design mul…
Soret coefficient of trace ions determined with electrochemical impedance spectroscopy in a thin cell. Theory and measurement
2018
The tendency of a substance to migrate due to a temperature gradient is known as thermodiffusion or the Soret effect. We believe that this is the first work that describes the study of the Soret effect using electrochemical impedance spectroscopy in a non-isothermal thin cell, and shows how the Soret coefficient can be determined from these measurements. The effect of a temperature gradient in a thin cell is analyzed, both theoretically and experimentally. Our theoretical modeling of the system predicts the effect of key parameters to the impedance spectra. Experimentally we determine the Soret coefficient of the redox couple Fe(CN)64−/Fe(CN)63− in an aqueous KCl solution. It is found that …
Some observations on the prediction of retention in reversed-phase liquid chromatography using the pH as main factor
2004
Abstract When solutes show acid–base behaviour inside the working pH of a reversed-phase liquid chromatographic (RPLC) column, besides the type and percentage of organic modifier, pH can be included to improve the possibilities of separation. Optimisation based on a retention model is an economical and reliable way to achieve the best resolution. However, the difficulties found in knowing the exact pH values and the dependence of acid−base constants of solutes with mobile phase composition makes the accurate modelling of the retention behaviour as a function of these variables rather difficult. In this work, it is shown that in fact, there is no need to have this information. Based on the e…
Enhanced calculation of optimal gradient programs in reversed-phase liquid chromatography
2003
Abstract The resolution of a mixture of 16 β-blockers under gradient elution was optimised using both isocratic and gradient training sets, with a reversed-phase column and acetonitrile–water eluents. Error theory was applied to measure the information extracted from different gradient experimental designs. This allows checking the expected accuracy when gradient predictions exceed the initial solvent concentrations tested in the training set. This work applies the results on modelling found in a previous study [J. Chromatogr. A 1018 (2003) 169] where the performance of several retention models was compared. Enhanced retention predictions were applied to the optimisation of gradient program…