Effects of catalyst composition on the ionic liquid catalyzed isobutane/2-butene alkylation

Liu, Ying; Li, Rui; Sun, Hongjuan; Hu, Ruisheng

doi:10.1016/j.molcata.2014.11.020

Cited by 53 publications

(39 citation statements)

References 28 publications

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“…That is, the presence of heterometallic chlorometallate anion [CuAlCl 5 ] − might improve the catalytic selectivity. This anion has been detected in the 27 Al NMR spectra of [Bmim]Cl−AlCl 3 −CuCl and [(C 2 H 5 ) 3 NH]Cl−AlCl 3 −CuCl ionic liquids [28][29][30]. However, other researchers argued that the peak of [CuAlCl 5 ] − should be identified as the signal of [Al 2 Cl 6 OH] − [31].…”

Section: Nh] 2x [(1−x)alcl 3 +mentioning

confidence: 99%

“…In general, the favorite AN value for the C 4 alkylation reaction should be around 93.0. [28,29], respectively. The other TMP data are obtained in this work.…”

Section: An Values and C 4 Alkylation Performancementioning

confidence: 99%

“…All metal chlorides were anhydrous and high purity materials (>99%), which purchased from Sigma-Aldrich Co. (Saint Louis, MO, USA). Triethylamine hydrochloride chloroaluminate ([(C 2 H 5 ) 3 NH]Cl−AlCl 3 ) and 1-butyl-3-methyl-imidazolium chloroaluminate ([BMIm]Cl−AlCl 3 ) were prepared and characterized using methods as reported previously [29,44]. In this work, the mole ratio of AlCl 3 to organic salt is kept at 1.6:1.…”

Section: Preparation Of Ionic Liquidsmentioning

confidence: 99%

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Mixed Chlorometallate Ionic Liquids as C4 Alkylation Catalysts: A Quantitative Study of Acceptor Properties

Pang¹,

Liu²,

Wang³

2018

Catalysts

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The acceptor properties of mixed chlorometallate ionic liquids for isobutane-butene alkylation (C4 alkylation) reaction were studied. These ionic liquids were prepared by mixing metal chlorides with either triethylamine hydrochloride or 1-butyl-3-methylimidazolium chloride in various molar ratios. Using triethylphosphine oxide as a probe, Gutmann Acceptor Numbers (AN) of the catalysts were determined, and the Lewis acidity of mixed chlorometallate ionic liquids was quantitatively measured. Additionally, AN value was developed to determine the relationship between Lewis acidity and catalytic selectivity. The favorite AN value for the C4 alkylation reaction should be around 93.0. The [(C2H5)3NH]Cl–AlCl3−CuCl appears to be more Lewis acidity than that of [(C2H5)3NH]Cl–AlCl3. The correlation of the acceptor numbers to speciation of the mixed chlorometallate ionic liquids has also been investigated. [AlCl4]−, [Al2Cl7]−, and [MAlCl5]− (M = Cu, Ag) are the main anionic species of the mixed chlorometallate ILs. While the presence of [(C2H5)3N·M]+ cation always decreases the acidity of the [(C2H5)3NH]Cl−AlCl3−MCl ionic liquids.

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Section: Nh] 2x [(1−x)alcl 3 +mentioning

confidence: 99%

“…In general, the favorite AN value for the C 4 alkylation reaction should be around 93.0. [28,29], respectively. The other TMP data are obtained in this work.…”

Section: An Values and C 4 Alkylation Performancementioning

confidence: 99%

Section: Preparation Of Ionic Liquidsmentioning

confidence: 99%

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Mixed Chlorometallate Ionic Liquids as C4 Alkylation Catalysts: A Quantitative Study of Acceptor Properties

Pang¹,

Liu²,

Wang³

2018

Catalysts

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“…In recent years, considerable attention has been focused on ionic liquids (ILs) as an alternative and promising catalyst, such as its application in the alkylation due to their outstanding advantages, including Lewis and Brønsted acidity, negligibly vapor pressure and easy separation from the products . Due to the excellent Lewis acidic properties, the chloroaluminate‐based ILs have been the most frequently investigated substitutes to catalyze the alkylation with better catalytic performances . For instance, the selectivity of trimethylpentanes (TMPs) of alkylate using chloroaluminate‐based ILs as catalysts reported by Liu et al was up to 87.5 wt % and the corresponding RON reached 100.5.…”

Section: Introductionmentioning

confidence: 99%

“…Due to the excellent Lewis acidic properties, the chloroaluminate‐based ILs have been the most frequently investigated substitutes to catalyze the alkylation with better catalytic performances . For instance, the selectivity of trimethylpentanes (TMPs) of alkylate using chloroaluminate‐based ILs as catalysts reported by Liu et al was up to 87.5 wt % and the corresponding RON reached 100.5. Alternatively, the Brønsted acidic ILs have been proved to be a promising cocatalyst for the alkylation, which can enhance the activity and stability of the strong acid .…”

Section: Introductionmentioning

confidence: 99%

Understanding interfacial behaviors of isobutane alkylation with C4 olefin catalyzed by sulfuric acid or ionic liquids

et al. 2017

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The interfacial properties between the hydrocarbon phase including isobutane and 2‐butene and the catalyst phase including H2SO4 or ionic liquids (ILs) with various alkyl chain length on their imidazolium cations have been investigated using molecular dynamics (MD) simulations. Compared to H2SO4, ILs can obviously improve the interfacial width, solubility and diffusion of reactants at the interface. The ILs with longer chains on cations exhibit a significant density enrichment of alkyl chains at the interface and tend to orient themselves with alkyl chains perpendicular to the interface and protruding into the reactant phase, which is in good agreement with the van der Waals energy between the reactants and cations of the ILs. The ILs with longer chains can improve the interfacial width and facilitate the dissolution of isobutane in catalyst phase, and thus exhibit a better catalytic performance, which agrees well with alkylation experiments in this work. © 2017 American Institute of Chemical Engineers AIChE J, 64: 950–960, 2018

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Effects of deep eutectic solvents on H₂SO₄‐catalyzed alkylation: Combining experiment and molecular dynamics simulation

Sha

Zheng

et al. 2022

AIChE Journal

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To enhance the catalytic performance of H2SO4‐catalyzed alkylation, various catalytic additives have drawn considerable attentions. Herein, the effects of deep eutectic solvent (DES) additives on catalytic performance and the interfacial properties of H2SO4 alkylation were systematically investigated using experimental methods and molecular dynamics (MD) simulation. Experimental results indicate that DESs with the optimal concentration about 1.0 wt% can efficiently improve C8 selectivity and research octane number of alkylate, especially at low temperature, but contribute less to the lifetime of H2SO4. MD results reveal that the phenyl molecules of DESs additives play a major role in enhancing interfacial properties of H2SO4 alkylation, including enlargement of interfacial thickness, promotion of isobutane relative solubility and diffusion to butene, which is probably the main reason for the better quality of alkylate. This work gives a good guideline for the design of novel DESs for H2SO4 alkylation.

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Effects of catalyst composition on the ionic liquid catalyzed isobutane/2-butene alkylation

Cited by 53 publications

References 28 publications

Mixed Chlorometallate Ionic Liquids as C4 Alkylation Catalysts: A Quantitative Study of Acceptor Properties

Mixed Chlorometallate Ionic Liquids as C4 Alkylation Catalysts: A Quantitative Study of Acceptor Properties

Understanding interfacial behaviors of isobutane alkylation with C4 olefin catalyzed by sulfuric acid or ionic liquids

Effects of deep eutectic solvents on H₂SO₄‐catalyzed alkylation: Combining experiment and molecular dynamics simulation

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Effects of catalyst composition on the ionic liquid catalyzed isobutane/2-butene alkylation

Cited by 53 publications

References 28 publications

Mixed Chlorometallate Ionic Liquids as C4 Alkylation Catalysts: A Quantitative Study of Acceptor Properties

Mixed Chlorometallate Ionic Liquids as C4 Alkylation Catalysts: A Quantitative Study of Acceptor Properties

Understanding interfacial behaviors of isobutane alkylation with C4 olefin catalyzed by sulfuric acid or ionic liquids

Effects of deep eutectic solvents on H2SO4‐catalyzed alkylation: Combining experiment and molecular dynamics simulation

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Effects of deep eutectic solvents on H₂SO₄‐catalyzed alkylation: Combining experiment and molecular dynamics simulation