Thermodynamic analysis, synthesis, characterization, and evaluation of 1-ethyl-3-methylimidazolium chloride: Study of its effect on pretreated rice husk

[Display omitted] •Synthesis of ionic liquid (IL) is modeled and experimentally validated.•The model of IL yields the theoretically optimal conditions to perform the reaction.•Thermodynamics, reactivity, and pretreating ability of IL on rice husk are evaluated.•Modified UNIFAC approach predicts soli...

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Published inChinese journal of chemical engineering Vol. 60; no. 8; pp. 143 - 154
Main Authors Coronado-Aldana, Eileen Katherine, Ferreira-Salazar, Cindy Lizeth, Piñeros-Castro, Nubia Yineth, Vázquez-Medina, Rubén, Perdomo, Felipe A.
Format Journal Article
LanguageEnglish
Published Elsevier B.V 01.08.2023
Universidad de Bogotá Jorge Tadeo Lozano,Facultad de Ciencias Naturales e Ingeniería,Cra.4 22-61,Cundinamarca,Bogotá,Colombia%Instituto Politecnico Nacional,CICATA Queretaro,Cerro Blanco 141,Colinas del Cimatario,76090 Queretaro,Mexico%School of Engineering,University of Edinburgh,Edinburgh EH9 3FB,United Kingdom
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Abstract [Display omitted] •Synthesis of ionic liquid (IL) is modeled and experimentally validated.•The model of IL yields the theoretically optimal conditions to perform the reaction.•Thermodynamics, reactivity, and pretreating ability of IL on rice husk are evaluated.•Modified UNIFAC approach predicts solid–liquid phase coexistence for reacting system.•Synthesized IL is affordable and has good ability to dissolve rice husk cellulose. This work is focused on the determination of the optimal reaction conditions to synthesize the ionic liquid 1-ethyl-3-methylimidazolium chloride ([EMIM][Cl]) and assess its suitability for the pretreatment of rice husk. The modified UNIFAC (UNIversal quasi-chemical Functional-group Activity Coefficients) approach for ionic liquids is used to develop a thermodynamic model that describes the reactive system methylimidazole (MIM), chloroethane (C2H5Cl) and [EMIM][Cl]. The model allows to study the phase equilibria coexistence (vapor–liquid equilibria and solid–liquid equilibria) and yields the theoretically optimal conditions to synthesize the ionic liquid. The model predictions are validated with the available experimental and reported data. By implementing the developed model, a simple way to synthesize ionic liquid [EMIM][Cl] was found allowing to study its influence on the structure and morphology of pretreated rice husk. The lignocellulosic materials involved in this study are characterized by their composition, enzymatic digestibility, scanning electron microscopy, and crystallinity. Compared to untreated material, [EMIM][Cl]-pretreated rice husk produces cellulose that can be efficiently enzymatic hydrolyzed with high sugar yields. This work offers a suitable methodology to include the synthesis and thermodynamics of the solvent media within the design of low-cost ionic liquids for lignocellulosic biomass pretreatment.
AbstractList This work is focused on the determination of the optimal reaction conditions to synthesize the ionic liq-uid 1-ethyl-3-methylimidazolium chloride([EMIM][Cl])and assess its suitability for the pretreatment of rice husk.The modified UNIFAC(UNIversal quasi-chemical Functional-group Activity Coefficients)approach for ionic liquids is used to develop a thermodynamic model that describes the reactive system methylimidazole(MIM),chloroethane(C2H5Cl)and[EMIM][Cl].The model allows to study the phase equilibria coexistence(vapor-liquid equilibria and solid-liquid equilibria)and yields the theoretically optimal conditions to synthesize the ionic liquid.The model predictions are validated with the available experimental and reported data.By implementing the developed model,a simple way to synthesize ionic liquid[EMIM][Cl]was found allowing to study its influence on the structure and morphology of pre-treated rice husk.The lignocellulosic materials involved in this study are characterized by their compo-sition,enzymatic digestibility,scanning electron microscopy,and crystallinity.Compared to untreated material,[EMIM][Cl]-pretreated rice husk produces cellulose that can be efficiently enzymatic hydro-lyzed with high sugar yields.This work offers a suitable methodology to include the synthesis and ther-modynamics of the solvent media within the design of low-cost ionic liquids for lignocellulosic biomass pretreatment.
[Display omitted] •Synthesis of ionic liquid (IL) is modeled and experimentally validated.•The model of IL yields the theoretically optimal conditions to perform the reaction.•Thermodynamics, reactivity, and pretreating ability of IL on rice husk are evaluated.•Modified UNIFAC approach predicts solid–liquid phase coexistence for reacting system.•Synthesized IL is affordable and has good ability to dissolve rice husk cellulose. This work is focused on the determination of the optimal reaction conditions to synthesize the ionic liquid 1-ethyl-3-methylimidazolium chloride ([EMIM][Cl]) and assess its suitability for the pretreatment of rice husk. The modified UNIFAC (UNIversal quasi-chemical Functional-group Activity Coefficients) approach for ionic liquids is used to develop a thermodynamic model that describes the reactive system methylimidazole (MIM), chloroethane (C2H5Cl) and [EMIM][Cl]. The model allows to study the phase equilibria coexistence (vapor–liquid equilibria and solid–liquid equilibria) and yields the theoretically optimal conditions to synthesize the ionic liquid. The model predictions are validated with the available experimental and reported data. By implementing the developed model, a simple way to synthesize ionic liquid [EMIM][Cl] was found allowing to study its influence on the structure and morphology of pretreated rice husk. The lignocellulosic materials involved in this study are characterized by their composition, enzymatic digestibility, scanning electron microscopy, and crystallinity. Compared to untreated material, [EMIM][Cl]-pretreated rice husk produces cellulose that can be efficiently enzymatic hydrolyzed with high sugar yields. This work offers a suitable methodology to include the synthesis and thermodynamics of the solvent media within the design of low-cost ionic liquids for lignocellulosic biomass pretreatment.
Author Piñeros-Castro, Nubia Yineth
Ferreira-Salazar, Cindy Lizeth
Vázquez-Medina, Rubén
Coronado-Aldana, Eileen Katherine
Perdomo, Felipe A.
AuthorAffiliation Universidad de Bogotá Jorge Tadeo Lozano,Facultad de Ciencias Naturales e Ingeniería,Cra.4 22-61,Cundinamarca,Bogotá,Colombia%Instituto Politecnico Nacional,CICATA Queretaro,Cerro Blanco 141,Colinas del Cimatario,76090 Queretaro,Mexico%School of Engineering,University of Edinburgh,Edinburgh EH9 3FB,United Kingdom
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Universidad de Bogotá Jorge Tadeo Lozano,Facultad de Ciencias Naturales e Ingeniería,Cra.4 22-61,Cundinamarca,Bogotá,Colombia%Instituto Politecnico Nacional,CICATA Queretaro,Cerro Blanco 141,Colinas del Cimatario,76090 Queretaro,Mexico%School of Engineering,University of Edinburgh,Edinburgh EH9 3FB,United Kingdom
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Snippet [Display omitted] •Synthesis of ionic liquid (IL) is modeled and experimentally validated.•The model of IL yields the theoretically optimal conditions to...
This work is focused on the determination of the optimal reaction conditions to synthesize the ionic liq-uid 1-ethyl-3-methylimidazolium...
SourceID wanfang
crossref
elsevier
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StartPage 143
SubjectTerms Fluid-phase equilibria
Ionic liquids
Thermodynamics
UNIFAC approach
Waste treatment
Title Thermodynamic analysis, synthesis, characterization, and evaluation of 1-ethyl-3-methylimidazolium chloride: Study of its effect on pretreated rice husk
URI https://dx.doi.org/10.1016/j.cjche.2023.02.023
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