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Using the group contribution method to predict the flash temperature of biodiesel and ethanol mixtures [PDF]

Heliyon
This article presents a novel approach to predict the flash temperature of biodiesel and ethanol mixtures using the Group Contribution Method (GCM). Expanding on the pioneering work by Liaw et al.
Esmaeil Bahrani, Mohammad Saleh Shafeeyan, Morteza Banihashemi   +2 more
doaj   +2 more sources

Modeling Dipolar Molecules with PCP-SAFT: A Vector Group-Contribution Method [PDF]

ACS Omega
Carl Hemprich, Philipp Rehner, Timm Esper, Joachim Gross, Dennis Roskosch, André Bardow   +5 more
doaj   +2 more sources

Modeling and predicting of the flash point of chemical compounds [PDF]

مجله مدل سازی در مهندسی, 2021
Flash point is one of the most important flammability characteristics of chemical compounds. In the present study, we developed a neural network model for accurate prediction of the flash point of chemical compounds, using the number of hydrogen and ...
hamidreza mirshahvalad, ramin ghasemiasl, nahid raoufi, mehrdad malekzadehdirin   +3 more
doaj   +1 more source

Group Contribution Method Supervised Neural Network for Precise Design of Organic Nonlinear Optical Materials [PDF]

Precision Chemistry
Jinming Fan, Bowei Yuan, Chao Qian, Shaodong Zhou   +3 more
doaj   +2 more sources

Prediction of Global Warming Potential for Gases Based on Group Contribution Method and Chemical Activity Descriptor [PDF]

ACS Omega
Zhao Yang, Shuai Yang, Xueyi Wang, Jixiong Xiao, Hang Wang   +4 more
doaj   +2 more sources

Hansen Solubility Parameters Applied to the Extraction of Phytochemicals

Plants, 2023
In many analytical chemical procedures, organic solvents are required to favour a better global yield upon the separation, extraction, or isolation of the target phytochemical analyte.
Fábio Junior Moreira Novaes, Daliane Cláudia de Faria, Fabio Zamboni Ferraz, Francisco Radler de Aquino Neto   +3 more
doaj   +1 more source

Predicting ionic liquid efficiency as steel corrosion inhibitor under static hydrochloric acid immersion using group contribution method

South African Journal of Chemical Engineering, 2023
As a novel corrosion inhibitor, ionic liquid has garnered a growing amount of interest. Different electrodes, such as carbon steel, stainless steel, aluminium, copper, magnesium, and others; different electrolytes, such as hydrochloric acid, sulfuric ...
Megawati Zunita, Yosef Juliyus Kevin, Kiki Adi Kurnia   +2 more
doaj   +1 more source

A Neural Networks Model for Accurate Prediction of the Flash Point of Chemical Compounds [PDF]

Iranian Journal of Chemistry & Chemical Engineering, 2020
Flashpoint is one of the most important flammability characteristics of chemical compounds. In the present study, we developed a neural network model for accurate prediction of the flashpoint of chemical compounds, using the number of hydrogen and carbon
Hamid Reza Mirshahvalad, Ramin Ghasemiasl,, Nahid Raufi, Mehrdad Malekzadeh Dirin   +3 more
doaj   +1 more source

Group contribution method promoted correlations of glass transition temperature of deep eutectic solvents

Chemical Thermodynamics and Thermal Analysis, 2023
Glass transition temperature (Tg) being a crucial thermal property, linear models for predicting Tg of deep eutectic solvents (DES) are proposed. The group contribution method and genetic algorithm using an experimental dataset of 51 DESs are applied to ...
Sakshi S. Tak, Debashis Kundu
doaj   +1 more source

Thermodynamic properties of formation estimated to biodiesel esters using Gaussian quantum chemistry software and group contribution method of Constantinou and Gani [PDF]

Chemical Industry and Chemical Engineering Quarterly, 2019
A lot of recent research has focused on the study of biocatalysts and nanocatalysts to improve biodiesel production. However, knowledge of the thermodynamic properties of the reaction components is necessary.
Potrich E., Voll F.A.P., Cabral V.F., Filho Cardozo L.   +3 more
doaj   +1 more source