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TMC4MPO SIGNED

Transition metal carbides as efficient catalysts for methane partial oxidation

Total Cost €

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EC-Contrib. €

0

Partnership

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 TMC4MPO project word cloud

Explore the words cloud of the TMC4MPO project. It provides you a very rough idea of what is the project "TMC4MPO" about.

mpo    stability    alternative    natural    monte    yield    conversion    affordable    25    metal    descriptor    density    activation    methane    steam    amount    transformation    economically    computational    carbides    employed    direct    prediction    zr    carlo    synthesis    reaction    performance    reactions    precious    ti    pd    outstanding    catalysts    gas    greenhouse    exhibits    tmcs    hf    chemical    kinetic    dioxide    envisions    h2    correlate    period    cu    atmosphere    human    conduct    chemicals    climate    pt    temperatures    imperative    overcome    transition    theory    exhibited    prepare    mo    dataset    consisting    frameworks    valuable    nb    co    metals    oxidation    selectivity    gathered    saving    bond    reforming    materials    ta    ni    energy    collaborators    computationally    au    tm    screening    big    superheated    carbon    rh    time    discussed    predictions    catalyst    route    serve    functional    endothermic    times    partial    mixture    suggest    experimental   

Project "TMC4MPO" data sheet

The following table provides information about the project.

Coordinator
UNIVERSITY COLLEGE LONDON 

Organization address
address: GOWER STREET
city: LONDON
postcode: WC1E 6BT
website: n.a.

contact info
title: n.a.
name: n.a.
surname: n.a.
function: n.a.
email: n.a.
telephone: n.a.
fax: n.a.

 Coordinator Country United Kingdom [UK]
 Total cost 212˙933 €
 EC max contribution 212˙933 € (100%)
 Programme 1. H2020-EU.1.3.2. (Nurturing excellence by means of cross-border and cross-sector mobility)
 Code Call H2020-MSCA-IF-2019
 Funding Scheme MSCA-IF-EF-ST
 Starting year 2021
 Duration (year-month-day) from 2021-03-01   to  2023-02-28

 Partnership

Take a look of project's partnership.

# participants  country  role  EC contrib. [€] 
1    UNIVERSITY COLLEGE LONDON UK (LONDON) coordinator 212˙933.00

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 Project objective

Methane is a particularly problematic greenhouse gas as its impact is 25 times greater than carbon dioxide over a 100-year period. Human activity has increased the amount of methane in the atmosphere, contributing to climate change. Therefore, there is an imperative for the transformation of methane into useful chemicals. At this time, the most economically available route for the conversion of methane into more valuable chemicals is via synthesis gas, a mixture of CO and H2. The only large-scale process for natural gas conversion involves a reaction known as methane-steam reforming. However, it is an endothermic process that requires high operating temperatures. Methane partial oxidation (MPO) is a promising energy saving alternative because it does not require the use of superheated steam. A major goal is to find a catalyst that exhibits high activity, selectivity and stability at the relevant reaction conditions. This project envisions the computational prediction of novel MPO catalysts that overcome this challenges by computationally screening a large set of materials consisting of precious metals (Rh, Pd, Pt, Au) and more affordable metals (Co, Ni, Cu) supported on transition metal carbides (TMCs, TM = Ti, Zr, Hf, V, Nb, Ta, Mo, W). These type of catalysts have exhibited outstanding performance in other chemical reactions in the past 5 years. To this end, state-of-the-art Density Functional Theory and Kinetic Monte Carlo frameworks will be employed to provide direct predictions of activity, selectivity, stability and yield for the most promising catalysts at relevant reaction conditions. Moreover, the large amount of results gathered from this project will serve as a big dataset to conduct descriptor analysis, and will suggest key properties that correlate well with their activity for C-H and O-H bond activation. The results obtained will be discussed with our experimental collaborators, who will prepare a selected set of catalysts based on my findings.

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The information about "TMC4MPO" are provided by the European Opendata Portal: CORDIS opendata.

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