Estimating flashpoints of fuels and chemical compounds using hybrid machine-learning techniques

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216305%3A26210%2F22%3APU144660" target="_blank" >RIV/00216305:26210/22:PU144660 - isvavai.cz</a>

Výsledek na webu

<a href="https://www-sciencedirect-com.ezproxy.lib.vutbr.cz/science/article/pii/S0016236122011449" target="_blank" >https://www-sciencedirect-com.ezproxy.lib.vutbr.cz/science/article/pii/S0016236122011449</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1016/j.fuel.2022.124292" target="_blank" >10.1016/j.fuel.2022.124292</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Estimating flashpoints of fuels and chemical compounds using hybrid machine-learning techniques

Popis výsledku v původním jazyce

Flashpoint of organic materials is a crucial physical property in industrial applications and laboratory experiments, which provides information on safety standards and needed precautions in handling various organic materials. Proposed methods to determine the flashpoint of an organic material suffer from dependency on other physical properties of the chemical or demand complicated calculations which are time-consuming. In this work, a direct system model is proposed to anticipate the flashpoints of organic materials for a wide range of chemical compounds. The following models of genetic algorithm-adaptive neuro-fuzzy inference system, the least-squares version of the support vector machine, particle swarm optimisation-adaptive neuro-fuzzy inference system, and artificial neural network were applied to develop the model. This system model can speed up the flashpoint determination process and its accuracy. It can also anticipate the flashpoints of new organic materials. 79 functional groups were gathered to form a group contribution method to estimate the flashpoints of various chemical compounds. The functional groups were correlated with the model, known as the committee machine intelligent system, which performs accurately to prognosticate the flashpoint for every compound. 1,378 chemical compounds of different chemical categories were used to develop the model, making it suitable to estimate the flashpoints. This system model can determine or anticipate the flashpoints of organic materials with high accuracy and provide useful information for safety considerations in laboratory and industrial applications.

Název v anglickém jazyce

Estimating flashpoints of fuels and chemical compounds using hybrid machine-learning techniques

Popis výsledku anglicky

Flashpoint of organic materials is a crucial physical property in industrial applications and laboratory experiments, which provides information on safety standards and needed precautions in handling various organic materials. Proposed methods to determine the flashpoint of an organic material suffer from dependency on other physical properties of the chemical or demand complicated calculations which are time-consuming. In this work, a direct system model is proposed to anticipate the flashpoints of organic materials for a wide range of chemical compounds. The following models of genetic algorithm-adaptive neuro-fuzzy inference system, the least-squares version of the support vector machine, particle swarm optimisation-adaptive neuro-fuzzy inference system, and artificial neural network were applied to develop the model. This system model can speed up the flashpoint determination process and its accuracy. It can also anticipate the flashpoints of new organic materials. 79 functional groups were gathered to form a group contribution method to estimate the flashpoints of various chemical compounds. The functional groups were correlated with the model, known as the committee machine intelligent system, which performs accurately to prognosticate the flashpoint for every compound. 1,378 chemical compounds of different chemical categories were used to develop the model, making it suitable to estimate the flashpoints. This system model can determine or anticipate the flashpoints of organic materials with high accuracy and provide useful information for safety considerations in laboratory and industrial applications.

Druh

J_SC - Článek v periodiku v databázi SCOPUS

CEP obor

—

OECD FORD obor

20704 - Energy and fuels

Projekt

<a href="/cs/project/EF15_003%2F0000456" target="_blank" >EF15_003/0000456: Laboratoř integrace procesů pro trvalou udržitelnost</a><br>

Návaznosti

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Rok uplatnění

2022

Kód důvěrnosti údajů

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

Název periodika

FUEL

ISSN

0016-2361

e-ISSN

1873-7153

Svazek periodika

neuveden

Číslo periodika v rámci svazku

323

Stát vydavatele periodika

GB - Spojené království Velké Británie a Severního Irska

Počet stran výsledku

9

Strana od-do

124292-124292

Kód UT WoS článku

—

EID výsledku v databázi Scopus

2-s2.0-85129568050