Heat capacity measurements by a Setaram μDSC3 evo microcalorimeter: estimation of deviation in the measurement, advanced data analysis by mathematical gnostics, and prediction by the artificial neural network

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F67985858%3A_____%2F24%3A00598190" target="_blank" >RIV/67985858:_____/24:00598190 - isvavai.cz</a>

Výsledek na webu

<a href="https://link.springer.com/article/10.1007/s10973-024-13505-w" target="_blank" >https://link.springer.com/article/10.1007/s10973-024-13505-w</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1007/s10973-024-13505-w" target="_blank" >10.1007/s10973-024-13505-w</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Heat capacity measurements by a Setaram μDSC3 evo microcalorimeter: estimation of deviation in the measurement, advanced data analysis by mathematical gnostics, and prediction by the artificial neural network

Popis výsledku v původním jazyce

The aim of the work is to study the variation in the isobaric heat capacity measurement due to changes in the amount of sample and the calibration standard using a Setaram μDSC3 evo microcalorimeter batch cells to provide a guideline toward the selection of the sample amount to minimize heat capacity measurement error in μDSC. Moreover, overall variation, variation due to the sample amount, and variation due to the calibration standard (reference) amount in heat capacity measurement were estimated for different amounts of the sample or/and the calibration standard material. In the present work, heat capacity measurements were taken for [C4mim][Tf2N] (1-butyl-3-methylimidazolium bis[(trifluoromethyl)sulfonyl]imide) ionicnliquid as a sample material and 1-butanol as a calibration standard. A novel non-statistical approach, mathematical gnostics (MG), was used for data analysis of measured heat capacities data. Moreover, the artificial neural network (ANN) model was developed to predict the deviation in the heat capacity measurement with 99.83% accuracy and 0.9939 R2 score. The Python package PyCpep based on the trained ANN model was developed to predict the deviation in the heat capacity measurement.

Název v anglickém jazyce

Heat capacity measurements by a Setaram μDSC3 evo microcalorimeter: estimation of deviation in the measurement, advanced data analysis by mathematical gnostics, and prediction by the artificial neural network

Popis výsledku anglicky

The aim of the work is to study the variation in the isobaric heat capacity measurement due to changes in the amount of sample and the calibration standard using a Setaram μDSC3 evo microcalorimeter batch cells to provide a guideline toward the selection of the sample amount to minimize heat capacity measurement error in μDSC. Moreover, overall variation, variation due to the sample amount, and variation due to the calibration standard (reference) amount in heat capacity measurement were estimated for different amounts of the sample or/and the calibration standard material. In the present work, heat capacity measurements were taken for [C4mim][Tf2N] (1-butyl-3-methylimidazolium bis[(trifluoromethyl)sulfonyl]imide) ionicnliquid as a sample material and 1-butanol as a calibration standard. A novel non-statistical approach, mathematical gnostics (MG), was used for data analysis of measured heat capacities data. Moreover, the artificial neural network (ANN) model was developed to predict the deviation in the heat capacity measurement with 99.83% accuracy and 0.9939 R2 score. The Python package PyCpep based on the trained ANN model was developed to predict the deviation in the heat capacity measurement.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

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OECD FORD obor

10403 - Physical chemistry

Projekt

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Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2024

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Journal of Thermal Analysis and Calorimetry

ISSN

1388-6150

e-ISSN

1588-2926

Svazek periodika

150

Číslo periodika v rámci svazku

1

Stát vydavatele periodika

HU - Maďarsko

Počet stran výsledku

13

Strana od-do

313-325

Kód UT WoS článku

001309307400001

EID výsledku v databázi Scopus

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