Target high‐efficiency ionic liquids to promote <scp>H<sub>2</sub>SO<sub>4</sub></scp>‐catalyzed <scp>C4</scp> alkylation by machine learning

Zheng, Weizhong; Ma, Zhe; Sun, Weizhen; Zhao, Ling

doi:10.1002/aic.17698

Cited by 7 publications

(4 citation statements)

References 63 publications

(105 reference statements)

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“…However, the redesign of the alkylation reactor requires high costs and cannot be directly implemented in an existing operational process. To enhance the catalytic performance of H 2 SO 4 on C4 alkylation, novel additives have received significant attention. − The introduction of additives plays an important role in enhancing interfacial mass transfer on C4 alkylation with several advantages, such as low additive dosage, reduced formation of byproducts, and the feasibility of direct cofeeding with H 2 SO 4 . , Our recent work systematically investigated the catalytic performance and reaction kinetics of C4 alkylation catalyzed by the used H 2 SO 4 without and with the introduction of a novel formyl functional [N 1,1,1.1 ][C 10 SO 4 ] surfactant additive . The used H 2 SO 4 typically comprises 6.0–7.0 wt % organics, 1.0–3.0 wt % water, and 90.0–92.0 wt % H 2 SO 4 , which is distinct from the fresh H 2 SO 4 (98.3 wt %).…”

Section: Introductionmentioning

confidence: 99%

Assessing Industrial-Scale H₂SO₄-Catalyzed C4 Alkylation Enhanced by [N_1,1,1,1][C₁₀SO₄] Additives Based on a Complex Kinetic Model

Ma,

Zheng,

Dong

et al. 2024

Ind. Eng. Chem. Res.

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It is of vital importance to assess the effects of novel additives on the industrial-scale alkylation process before actual industrial operations. Herein, to evaluate the promotion of the novel [N 1,1,1,1 ][C 10 SO 4 ] additive on the industrial-scale H 2 SO 4catalyzed isobutane alkylation, a custom user model of the Aspen Plus simulation platform with embedded complex kinetic parameters was established to simulate the whole process. The prediction of the complex kinetic model can agree well with the continuous experimental alkylate distribution, including trimethylpentanes (TMPs), dimethylhexanes (DMHs), light ends (LEs), and heavy ends (HEs). There is a close agreement between the calculated results from the user module and the complex kinetic model with an error margin within 1%, thereby confirming the accuracy of the custom module and the kinetic model. For the process simulation, the introduction of 0.3 wt % [N 1,1,1,1 ][C 10 SO 4 ] additive can remarkably improve the selectivity of targeted TMPs and the yield of alkylate, even at the space time down to 20 min from typical 30 min in the pure used H 2 SO 4 system and at lower isoparaffin/olefin from 8:1 to 6:1, which is beneficial for the enhanced production capacity of alkylate. Specifically, the research octane number (RON) of alkylate can be maintained above 96.00, even with 40.72% decrease in space time as well as 33.3% decrease in the I/O ratio. Under optimized conditions, the production capacity of alkylate with [N 1,1,1,1 ][C 10 SO 4 ] additives can be increased by about 30% up to 134.01 kt/a from typical 103.13 kt/a in the pure used H 2 SO 4 system. This work provides a good guideline for the industrial application of novel additives for C4 alkylation.

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Section: Introductionmentioning

confidence: 99%

Assessing Industrial-Scale H₂SO₄-Catalyzed C4 Alkylation Enhanced by [N_1,1,1,1][C₁₀SO₄] Additives Based on a Complex Kinetic Model

Ma,

Zheng,

Dong

et al. 2024

Ind. Eng. Chem. Res.

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“…Apart from facilitating the prediction of IL properties (such as melting point, viscosity, ion conductivity, solubility of acid gases, etc .) and the discovery/screening of IL candidates, the ML-based intelligent chemistry is also able to solve Question 5 by rapidly evaluating the toxic effect of IL usage on the environment. , …”

Section: Introductionmentioning

confidence: 99%

Microwave Encounters Ionic Liquid: Synergistic Mechanism, Synthesis and Emerging Applications

Zhao,

Li,

Gao

2023

Chem. Rev.

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Progress in microwave (MW) energy application technology has stimulated remarkable advances in manufacturing and high-quality applications of ionic liquids (ILs) that are generally used as novel media in chemical engineering. This Review focuses on an emerging technology via the combination of MW energy and the usage of ILs, termed microwave-assisted ionic liquid (MAIL) technology. In comparison to conventional routes that rely on heat transfer through media, the contactless and unique MW heating exploits the electromagnetic wave−ions interactions to deliver energy to IL molecules, accelerating the process of material synthesis, catalytic reactions, and so on. In addition to the inherent advantages of ILs, including outstanding solubility, and well-tuned thermophysical properties, MAIL technology has exhibited great potential in process intensification to meet the requirement of efficient, economic chemical production. Here we start with an introduction to principles of MW heating, highlighting fundamental mechanisms of MW induced process intensification based on ILs. Next, the synergies of MW energy and ILs employed in materials synthesis, as well as their merits, are documented. The emerging applications of MAIL technologies are summarized in the next sections, involving tumor therapy, organic catalysis, separations, and bioconversions. Finally, the current challenges and future opportunities of this emerging technology are discussed.

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“…The effects of ILs and DESs additives on the H 2 SO 4catalyzed C4 alkylation were investigated in details by Tang et al, 13 followed by Zhang et al, [14][15][16] Liu et al, 17 and our groups. [18][19][20][21] It has been well proven that the ILs and DESs additives can significantly intensify the interfacial properties and catalytic performance of H 2 SO 4 -catalyzed C4 alkylation. However, DESs additives, such as choline chlorides-phenol and choline chlorides-benzoic acid, contain halogen elements that can accelerate equipment corrosion, and ILs additives still suffer from limitations in industrial application owing to the high cost of raw materials and complicated preparation process.…”

Section: Introductionmentioning

confidence: 99%

“…Various additives including surfactants, deep eutectic solvents (DESs), and ILs have been successfully developed to enhance the catalytic performance of H 2 SO 4 ‐catalyzed C4 alkylation. The effects of ILs and DESs additives on the H 2 SO 4 ‐catalyzed C4 alkylation were investigated in details by Tang et al, 13 followed by Zhang et al, 14–16 Liu et al, 17 and our groups 18–21 . It has been well proven that the ILs and DESs additives can significantly intensify the interfacial properties and catalytic performance of H 2 SO 4 ‐catalyzed C4 alkylation.…”

Section: Introductionmentioning

confidence: 99%

Enhanced catalytic performance of H₂SO₄‐catalyzed C4 alkylation by formyl functional [N₁_,1,1,1][C₁₀SO₄] additive

Zheng

Sun

et al. 2023

AIChE Journal

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It is of fundamental importance to assess the additive for isobutane alkylation catalyzed by the concentrated H2SO4 in actual industrial reactor, which usually contains 6.0–7.0 wt% red oil (ASO) impurity. Herein, the formyl functional [N1,1,1,1][C10SO4] additive was developed to enhance the catalytic performance of the H2SO4 taken from industrial stream with emphasis on process optimization and reaction kinetics. The ASO that existed in the H2SO4 from industrial stream has a promoting effect, and the introduction of [N1,1,1,1][C10SO4] with ratio of 0.3 wt% can further improve research octane number of alkylate even in a shorter reaction time. The kinetic model can well predict the concentration changes of key components, in which [N1,1,1,1][C10SO4] contributes to the larger reaction rate and lower activation energy for the targeted trimethylpentanes generation due to the intensified isobutane solvation. Hopefully, the novel additive has a promising application to optimize the H2SO4‐catalyzed industrial alkylation process.

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Target high‐efficiency ionic liquids to promote H₂SO₄‐catalyzed C4 alkylation by machine learning

Cited by 7 publications

References 63 publications

Assessing Industrial-Scale H₂SO₄-Catalyzed C4 Alkylation Enhanced by [N_1,1,1,1][C₁₀SO₄] Additives Based on a Complex Kinetic Model

Assessing Industrial-Scale H₂SO₄-Catalyzed C4 Alkylation Enhanced by [N_1,1,1,1][C₁₀SO₄] Additives Based on a Complex Kinetic Model

Microwave Encounters Ionic Liquid: Synergistic Mechanism, Synthesis and Emerging Applications

Enhanced catalytic performance of H₂SO₄‐catalyzed C4 alkylation by formyl functional [N₁_,1,1,1][C₁₀SO₄] additive

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Target high‐efficiency ionic liquids to promote H2SO4‐catalyzed C4 alkylation by machine learning

Cited by 7 publications

References 63 publications

Assessing Industrial-Scale H2SO4-Catalyzed C4 Alkylation Enhanced by [N1,1,1,1][C10SO4] Additives Based on a Complex Kinetic Model

Assessing Industrial-Scale H2SO4-Catalyzed C4 Alkylation Enhanced by [N1,1,1,1][C10SO4] Additives Based on a Complex Kinetic Model

Microwave Encounters Ionic Liquid: Synergistic Mechanism, Synthesis and Emerging Applications

Enhanced catalytic performance of H2SO4‐catalyzed C4 alkylation by formyl functional [N1,1,1,1][C10SO4] additive

Contact Info

Product

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Target high‐efficiency ionic liquids to promote H₂SO₄‐catalyzed C4 alkylation by machine learning

Assessing Industrial-Scale H₂SO₄-Catalyzed C4 Alkylation Enhanced by [N_1,1,1,1][C₁₀SO₄] Additives Based on a Complex Kinetic Model

Assessing Industrial-Scale H₂SO₄-Catalyzed C4 Alkylation Enhanced by [N_1,1,1,1][C₁₀SO₄] Additives Based on a Complex Kinetic Model

Enhanced catalytic performance of H₂SO₄‐catalyzed C4 alkylation by formyl functional [N₁_,1,1,1][C₁₀SO₄] additive