“…C4 alkylation is an exothermic reaction. The low temperature is beneficial to the formation of C 8 key components with higher RON 44,45 . Thus, the effect of reaction temperature on C4 alkylation from 281.2 to 269.2 K with ChCl–Pho (1:2) additive is listed in Table 1.…”
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.
“…C4 alkylation is an exothermic reaction. The low temperature is beneficial to the formation of C 8 key components with higher RON 44,45 . Thus, the effect of reaction temperature on C4 alkylation from 281.2 to 269.2 K with ChCl–Pho (1:2) additive is listed in Table 1.…”
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.
“…Figure 3 uses the ratio of iso-butane : n-butane to provide an indication of whether isomerization occurs for all hydrocarbon compounds and demonstrates that while it is prevalent in all reactions using the catalysts discussed above, it is particularly notable in the case of 5Ni@Beta (SSP) due to its increased metal loading relative to the other catalysts. Iso-butane is frequently used in petrochemical alkylation reactions [ 46 , 47 ] and is therefore considered a valuable fraction of refinery intermediates. Figure 3 CMR and iso-butane : n-butane ratio for SSP-derived catalysts.…”
Sulfided nickel, an established hydrocracking and hydrotreating catalyst for hydrocarbon refining, was synthesized on porous aluminosilicate supports for the hydrocracking of mixed polyolefin waste. Zeolite beta, zeolite 13X, MCM41 and an amorphous silica-alumina catalyst support were impregnated with the single-source precursor (SSP) nickel (II) ethylxanthate for catalyst support screening. Application of this synthesis method to beta-supported nickel (Ni@Beta), as an alternative to wet impregnation using aqueous nickel (II) nitrate, provided catalytic materials with higher conversion to fluid products at the same mild batch reaction conditions of 330°C with appropriate agitation and 20 bar H
2
pressure. Mass balance quantification demonstrated that SSP-derived 5wt%Ni@Beta yielded a greater than 95 wt% conversion of a mixed polyolefin feed to fluid products, compared with 39.8 wt% conversion in the case of 5wt%Ni@Beta prepared by wet impregnation. Liquid and gas products were quantitatively analysed by gas chromatography–flame ionization detection (GC-FID) and gas chromatography–mass spectrometry (GC-MS), revealing a strong selectivity to saturated C
4
(37.3 wt%), C
5
(21.6 wt%) and C
6
(12.8 wt%) hydrocarbons in the case of the SSP-derived catalyst.
“…C4 alkylation is an exothermic reaction. The low temperature is beneficial to the formation of C 8 key components with higher RON 40,41 . Thus, the effect of reaction temperature on C4 alkylation from 281.…”
To enhance the catalytic performance of H2SO4-catalyzed alkylation,
various catalytic additives have drawn considerable attention. Herein,
the effects of deep eutectic solvents additives (DESs) on catalytic
performance and interfacial properties of H2SO4 alkylation were
systematically investigated using experimental methods and molecular
dynamics (MD) simulation. Experimental results indicate that DESs
additives with the optimal concentration about 1.0 wt% can efficiently
improve C8 selectivity and research octane number (RON) of alkylate.
However, DESs additives contribute less to the quality of alkylate at
low temperature and 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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