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TMC4MPO SIGNED

Transition metal carbides as efficient catalysts for methane partial oxidation

Total Cost €

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EC-Contrib. €

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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.

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

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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