Abstract
Vinyl chloride, the monomer of polyvinyl chloride (PVC), is industrially synthesized via acetylene hydrochlorination. Thereby, easy to sublimate but toxic mercury chloride catalysts are widely used. It is imperative to find environmentally friendly non-mercury catalysts to promote the green production of PVC. Low-cost copper-based catalysts are promising candidates. In this study, phosphorus-doped Cu-based catalysts are prepared. It is shown that the type of phosphorus configuration and the distribution on the surface of the carrier can be adjusted by changing the calcination temperature. Among the different phosphorus species, the formed P-C bond plays a key role. The coordination structure formed by the interaction between P-C bonds and atomically dispersed Cu2+ species results in effective and stable active sites. Insights on how P-C bonds activate the substrate may provide ideas for the design and optimization of phosphorus-doped catalysts for acetylene hydrochlorination.
Highlights
Vinyl chloride, the monomer of polyvinyl chloride (PVC), is industrially synthesized via acetylene hydrochlorination
Combined with acetylene conversion and characterization analysis, we found that the phosphorus species (P-C) bond plays a crucial role in the hydrochlorination of acetylene, and the coordination structure formed by the interaction between atomically dispersed Cu2+ species and P-C bond is the reason for the better catalytic performance of the catalyst
The copper content in inductively coupled plasma atomic emission spectrometry (ICP-AES) data is similar to X-ray photoelectron spectroscopy (XPS) and EDS data, which confirms the reliability of the data (Supplementary Table 2)
Summary
The monomer of polyvinyl chloride (PVC), is industrially synthesized via acetylene hydrochlorination. There have been many studies on phosphorus doping, it has not been investigated which of the different phosphorus species produced during the preparation process can be the most suitable anchoring sites[31,32,33,34,35,36] to play a key role in acetylene hydrochlorination and how it interacts with copper species. In order to solve this problem, in this study, non-toxic and low-cost 1-hydroxyethylidene-1,1-diphosphonic acid (HEDP, Fig. S1) is used as a phosphorus source to prepare copper catalysts supported on P-doped activated carbon calcined at different temperatures. Combined with acetylene conversion and characterization analysis, we found that the P-C bond plays a crucial role in the hydrochlorination of acetylene, and the coordination structure formed by the interaction between atomically dispersed Cu2+ species and P-C bond is the reason for the better catalytic performance of the catalyst. Density functional theory (DFT) is used to further determine the optimal structure of the active site and reveal the detailed reaction path and evolution of C2H2 and HCl on the active site
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