A High Pressure Study of Para-Xylene

DOI

This proposal will explore the effect of elevated pressure on para-xylene. It is a raw material in the large scale synthesis of various polymers, including polyethylene terephthalate (PET).Recently p-xylene was crystallised and polymerised under high pressure. No structural details were obtained. We are proposing a careful high-pressure neutron diffraction study on p-xylene under quasi-hydrostatic conditions, with the aims of (i) identifying the evolution of structure as a function of pressure, including the changes in intermolecular interactions, (ii) to solve the structure of the monoclinic phase that was obtained by pressure-induced crystallisation at room temperature; iii) to study pressure induced polymerisation. These experimental results will be compared with the outputs from DFT-D calculations. These results will provide an enhanced understanding of the behaviour of p-xylene.

Identifier
DOI https://doi.org/10.5286/ISIS.E.RB1920618-2
Metadata Access https://icatisis.esc.rl.ac.uk/oaipmh/request?verb=GetRecord&metadataPrefix=oai_datacite&identifier=oai:icatisis.esc.rl.ac.uk:inv/105606164
Provenance
Creator Dr Sumit Konar; Professor Colin Pulham; Dr Craig Bull; Dr Xiaojiao Liu; Miss Angela Fong; Miss nurunnisa atceken
Publisher ISIS Neutron and Muon Source
Publication Year 2022
Rights CC-BY Attribution 4.0 International; https://creativecommons.org/licenses/by/4.0/
OpenAccess true
Contact isisdata(at)stfc.ac.uk
Representation
Resource Type Dataset
Discipline Chemistry; Natural Sciences; Physics
Temporal Coverage Begin 2019-09-12T07:30:00Z
Temporal Coverage End 2019-09-17T07:30:00Z