Experimental and theoretical investigation of molecular interaction and molecular polarity of organic solvent with ionic liquids and deep eutectic solvents at T (298.15–343.15) K and 1 atm

Anantharaj Ramalingam; Achsah Rajendran Startha Christabel; Anoop Kishore Vatti; Danish John Paul Mark Reji; Shruthi Nagaraj

doi:10.1002/apj.2545

Experimental and theoretical investigation of molecular interaction and molecular polarity of organic solvent with ionic liquids and deep eutectic solvents at T (298.15–343.15) K and 1 atm

Anantharaj Ramalingam^*
, Achsah Rajendran Startha Christabel
, Anoop Kishore Vatti
, Danish John Paul Mark Reji
, Shruthi Nagaraj

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

6 Citations (Scopus)

Abstract

Densities of the binary mixtures of organic solvents (acetic acid (HAc), n-butanol (n-BuOH) and n- butyl acetate (n-BuAc)) with 1-ethyl-3-methylimidazolium hydrogen sulphate {[EMIM][HSO₄]: IL₁}, 1-ethyl-3-methyimidazolium ethyl sulphate {[EMIM][EtSO₄]: IL₂}, 1-butyl-3-methylimidazolium acetate {[BMIM][OAc]: IL₃}, 1-butyl-3-methylimidazolium bis (trifluoromethylsulfonyl)imide, {[BMIM][NtF₂]: IL₄}} and/or Deep Eutectic Solvents (DESs) {choline chloride-acetic acid [ChCl][AA]: DES₁}, choline chloride-glycerol [ChCl][Gly]: DES₂), were measured over the entire composition range at T (293.15–343.15) K and 1 atm. The volumteric properties and derived thermodynamic properties of mixed solvents were calculated from the experimental data in order to understand the specific interactions and/or non-specific interactions between mixed solvents during mixing at 298.15 K and 1 atm. Further, the molecular polarity of all the studied components were analyzed using COSMO-RS model.

Original language	English
Article number	e2545
Journal	Asia-Pacific Journal of Chemical Engineering
Volume	16
Issue number	1
DOIs	https://doi.org/10.1002/apj.2545
Publication status	Published - 01-01-2021

UN SDGs

This output contributes to the following UN Sustainable Development Goals (SDGs)

SDG 7 Affordable and Clean Energy

All Science Journal Classification (ASJC) codes

General Chemical Engineering
Renewable Energy, Sustainability and the Environment
Waste Management and Disposal

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10.1002/apj.2545

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Ramalingam, A., Rajendran Startha Christabel, A., Vatti, A. K., Mark Reji, D. J. P., & Nagaraj, S. (2021). Experimental and theoretical investigation of molecular interaction and molecular polarity of organic solvent with ionic liquids and deep eutectic solvents at T (298.15–343.15) K and 1 atm. Asia-Pacific Journal of Chemical Engineering, 16(1), Article e2545. https://doi.org/10.1002/apj.2545

@article{c6a92e74af28419e85dc72b92aabaab8,

title = "Experimental and theoretical investigation of molecular interaction and molecular polarity of organic solvent with ionic liquids and deep eutectic solvents at T (298.15–343.15) K and 1 atm",

abstract = "Densities of the binary mixtures of organic solvents (acetic acid (HAc), n-butanol (n-BuOH) and n- butyl acetate (n-BuAc)) with 1-ethyl-3-methylimidazolium hydrogen sulphate \{[EMIM][HSO4]: IL1\}, 1-ethyl-3-methyimidazolium ethyl sulphate \{[EMIM][EtSO4]: IL2\}, 1-butyl-3-methylimidazolium acetate \{[BMIM][OAc]: IL3\}, 1-butyl-3-methylimidazolium bis (trifluoromethylsulfonyl)imide, \{[BMIM][NtF2]: IL4\}\} and/or Deep Eutectic Solvents (DESs) \{choline chloride-acetic acid [ChCl][AA]: DES1\}, choline chloride-glycerol [ChCl][Gly]: DES2), were measured over the entire composition range at T (293.15–343.15) K and 1 atm. The volumteric properties and derived thermodynamic properties of mixed solvents were calculated from the experimental data in order to understand the specific interactions and/or non-specific interactions between mixed solvents during mixing at 298.15 K and 1 atm. Further, the molecular polarity of all the studied components were analyzed using COSMO-RS model.",

author = "Anantharaj Ramalingam and \{Rajendran Startha Christabel\}, Achsah and Vatti, \{Anoop Kishore\} and \{Mark Reji\}, \{Danish John Paul\} and Shruthi Nagaraj",

note = "Funding Information: The authors wish to acknowledge the financial support from Science and Engineering Research Board – DST (YSS/2015/001546), India \& SSN Trust, Chennai, and Tamil Nadu. Publisher Copyright: {\textcopyright} 2020 Curtin University and John Wiley \& Sons, Ltd.",

year = "2021",

month = jan,

day = "1",

doi = "10.1002/apj.2545",

language = "English",

volume = "16",

journal = "Asia-Pacific Journal of Chemical Engineering",

issn = "1932-2135",

publisher = "John Wiley and Sons Ltd",

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Ramalingam, A, Rajendran Startha Christabel, A, Vatti, AK, Mark Reji, DJP & Nagaraj, S 2021, 'Experimental and theoretical investigation of molecular interaction and molecular polarity of organic solvent with ionic liquids and deep eutectic solvents at T (298.15–343.15) K and 1 atm', Asia-Pacific Journal of Chemical Engineering, vol. 16, no. 1, e2545. https://doi.org/10.1002/apj.2545

Experimental and theoretical investigation of molecular interaction and molecular polarity of organic solvent with ionic liquids and deep eutectic solvents at T (298.15–343.15) K and 1 atm. / Ramalingam, Anantharaj; Rajendran Startha Christabel, Achsah; Vatti, Anoop Kishore et al.
In: Asia-Pacific Journal of Chemical Engineering, Vol. 16, No. 1, e2545, 01.01.2021.

Research output: Contribution to journal › Article › peer-review

TY - JOUR

T1 - Experimental and theoretical investigation of molecular interaction and molecular polarity of organic solvent with ionic liquids and deep eutectic solvents at T (298.15–343.15) K and 1 atm

AU - Ramalingam, Anantharaj

AU - Rajendran Startha Christabel, Achsah

AU - Vatti, Anoop Kishore

AU - Mark Reji, Danish John Paul

AU - Nagaraj, Shruthi

N1 - Funding Information: The authors wish to acknowledge the financial support from Science and Engineering Research Board – DST (YSS/2015/001546), India & SSN Trust, Chennai, and Tamil Nadu. Publisher Copyright: © 2020 Curtin University and John Wiley & Sons, Ltd.

PY - 2021/1/1

Y1 - 2021/1/1

N2 - Densities of the binary mixtures of organic solvents (acetic acid (HAc), n-butanol (n-BuOH) and n- butyl acetate (n-BuAc)) with 1-ethyl-3-methylimidazolium hydrogen sulphate {[EMIM][HSO4]: IL1}, 1-ethyl-3-methyimidazolium ethyl sulphate {[EMIM][EtSO4]: IL2}, 1-butyl-3-methylimidazolium acetate {[BMIM][OAc]: IL3}, 1-butyl-3-methylimidazolium bis (trifluoromethylsulfonyl)imide, {[BMIM][NtF2]: IL4}} and/or Deep Eutectic Solvents (DESs) {choline chloride-acetic acid [ChCl][AA]: DES1}, choline chloride-glycerol [ChCl][Gly]: DES2), were measured over the entire composition range at T (293.15–343.15) K and 1 atm. The volumteric properties and derived thermodynamic properties of mixed solvents were calculated from the experimental data in order to understand the specific interactions and/or non-specific interactions between mixed solvents during mixing at 298.15 K and 1 atm. Further, the molecular polarity of all the studied components were analyzed using COSMO-RS model.

AB - Densities of the binary mixtures of organic solvents (acetic acid (HAc), n-butanol (n-BuOH) and n- butyl acetate (n-BuAc)) with 1-ethyl-3-methylimidazolium hydrogen sulphate {[EMIM][HSO4]: IL1}, 1-ethyl-3-methyimidazolium ethyl sulphate {[EMIM][EtSO4]: IL2}, 1-butyl-3-methylimidazolium acetate {[BMIM][OAc]: IL3}, 1-butyl-3-methylimidazolium bis (trifluoromethylsulfonyl)imide, {[BMIM][NtF2]: IL4}} and/or Deep Eutectic Solvents (DESs) {choline chloride-acetic acid [ChCl][AA]: DES1}, choline chloride-glycerol [ChCl][Gly]: DES2), were measured over the entire composition range at T (293.15–343.15) K and 1 atm. The volumteric properties and derived thermodynamic properties of mixed solvents were calculated from the experimental data in order to understand the specific interactions and/or non-specific interactions between mixed solvents during mixing at 298.15 K and 1 atm. Further, the molecular polarity of all the studied components were analyzed using COSMO-RS model.

UR - https://www.scopus.com/pages/publications/85089294150

UR - https://www.scopus.com/pages/publications/85089294150#tab=citedBy

U2 - 10.1002/apj.2545

DO - 10.1002/apj.2545

M3 - Article

AN - SCOPUS:85089294150

SN - 1932-2135

VL - 16

JO - Asia-Pacific Journal of Chemical Engineering

JF - Asia-Pacific Journal of Chemical Engineering

IS - 1

M1 - e2545

ER -

Experimental and theoretical investigation of molecular interaction and molecular polarity of organic solvent with ionic liquids and deep eutectic solvents at T (298.15–343.15) K and 1 atm

Abstract

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