Enhanced discrimination of 1‐octene over 2‐octene for high‐selectivity separation by bimetallic Ag + /Cu 2+ ionic liquid

IF 4.4 3区工程技术 Q2 ENGINEERING, CHEMICAL

AIChE Journal Pub Date : 2026-08-03 DOI:10.1002/aic.70568

Xueqi Shi, Hongbin Wang, Chuanqi Geng, Siya Ding, Qiuyan Ding, Hong Li, Shun Liu, Xin Gao

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引用次数: 0

Abstract

The separation of 1‐octene from 2‐octene is a key bottleneck in the purification of Fischer–Tropsch (F–T) C8 α‐olefins because of their similar physicochemical properties and competitive metal–olefin complexation. To address the limited discrimination between terminal and internal olefins, this study systematically screened metal‐based ionic‐liquid extractants and introduced Cu 2+ into Ag + ‐based ionic liquid (IL) system. The resulting bimetallic Ag + /Cu 2+ ‐IL increased the 1‐octene/2‐octene selectivity by up to 74.6% relative to the corresponding single‐Ag + reference system. Quantum chemical calculations, molecular dynamics simulations, multistage extraction experiments, and process modeling indicate that Cu 2+ is associated with altered Ag‐centered local binding and accessibility, consistent with reduced 2‐octene co‐extraction. The bimetallic system maintained its selectivity advantage under multistage operation with 99.97% cumulative 1‐octene recovery and achieved an 80.7% reduction in energy demand relative to conventional distillation. This work offers a new mechanistic strategy and a process‐feasible route for separating terminal olefins from internal olefins.

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Ag + / cu2 +双金属离子液体对1 -辛烯和2 -辛烯的高选择性鉴别增强

由于1 -辛烯和2 -辛烯具有相似的物理化学性质和竞争性的金属-烯烃络合作用，因此分离是费托烯烃提纯的关键瓶颈。为了解决终端烯烃和内部烯烃的有限区分问题，本研究系统地筛选了金属基离子液体萃取剂，并将cu2 +引入银基离子液体（IL）体系。所得到的双金属Ag + /Cu 2+ - IL相对于相应的单Ag +参比体系，将1 -辛烯/2 -辛烯的选择性提高了74.6%。量子化学计算、分子动力学模拟、多阶段萃取实验和过程建模表明，Cu 2+与银中心局部结合和可及性的改变有关，与减少2辛烯共萃取一致。双金属体系在多级操作下保持了选择性优势，累积1辛烯回收率达99.97%，能耗比常规蒸馏降低80.7%。这项工作为分离终端烯烃和内烯烃提供了一种新的机理策略和可行的工艺路线。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

AIChE Journal 工程技术-工程：化工

CiteScore

7.10

自引率

10.80%

发文量

411

审稿时长

3.6 months

期刊介绍： The AIChE Journal is the premier research monthly in chemical engineering and related fields. This peer-reviewed and broad-based journal reports on the most important and latest technological advances in core areas of chemical engineering as well as in other relevant engineering disciplines. To keep abreast with the progressive outlook of the profession, the Journal has been expanding the scope of its editorial contents to include such fast developing areas as biotechnology, electrochemical engineering, and environmental engineering. The AIChE Journal is indeed the global communications vehicle for the world-renowned researchers to exchange top-notch research findings with one another. Subscribing to the AIChE Journal is like having immediate access to nine topical journals in the field. Articles are categorized according to the following topical areas: Biomolecular Engineering, Bioengineering, Biochemicals, Biofuels, and Food Inorganic Materials: Synthesis and Processing Particle Technology and Fluidization Process Systems Engineering Reaction Engineering, Kinetics and Catalysis Separations: Materials, Devices and Processes Soft Materials: Synthesis, Processing and Products Thermodynamics and Molecular-Scale Phenomena Transport Phenomena and Fluid Mechanics.