H2020Индивидуална стипендия2020–2022

CO2Polymerisation · Conversion of CO2/H2O to Polyethylene through Cascade Electro-reduction–Polymerisation Catalysis

„Хоризонт 2020“ — Действия „Мария Склодовска-Кюри“

Период: 2020-11-01 → 2022-11-14
Финансиране от ЕС: 162 040 €
Участници: 1
Схема: MSCA-IF

Линиите свързват координатора с партньорите.

Накратко на български

Разработването на нов катализатор цели превръщането на въглеродния диоксид и водата в полезни вещества като полиетилен и метанол чрез електролиза. Това помага за намаляване на парниковите газове в атмосферата и предлага алтернатива на изчерпващите се петрохимически суровини.

Този кратък обзор е генериран от изкуствен интелект

Кратко обяснение, генерирано от езиков модел по текста на CORDIS. Оригиналът е по-долу.

Резултати накратко

Conversion of CO2/H2O to Polyethylene through Cascade Electro-reduction–Polymerisation Catalysis

The increasing concentration of CO2, the main long-lived greenhouse gas in the Earth's atmosphere, is causing global warming and climate change. In today's world of high energy demand, converting CO2 into renewable fuels through clean and economical chemical processes seems to be a more rewarding approach than its geological sequestration. The development of electrochemical CO2 reduction has recently emerged as a promising and environmentally friendly approach for recycling carbon resources and producing value-added chemical feedstocks such as CH4, C2H4, and CH3OH. Reducing the concentration of CO2 in the atmosphere by using CO2 for sustainable energy or producing low-carbon fuels such as polyethylene can simultaneously solve two global problems: Energy scarcity and environmental pollution. Due to the great importance of this issue in our modern society, the impact of the proposed research on the scientific community and industry will be enormous, both in Europe and worldwide. Therefore, there is a need to develop a novel sustainable process to produce hydrocarbons from renewable carbonaceous resources, such as sustainable CO2. The development of processes to produce hydrocarbons from CO2 would be a significant breakthrough that would complement the conversion of today's global economy from eventually depleted petrochemical feedstocks to carbonaceous resources. Such progress could mitigate the volatility of global chemical prices and would lead to a more sustainable technological solution. The main objective of the proposal is to theoretically develop a novel catalyst for the direct conversion of CO2 to hydrocarbons such as CH4, C2H4, and CH3OH by electrolytic reduction of CO2 that can achieve higher efficiency under relatively mild operating conditions. To this end, a multiscale framework for ab initio simulation of direct CO2 electroreduction to CO intermediates and then to hydrocarbons using computational chemistry is presented.

Текст от CORDIS, на английски · Данни: CORDIS, © Европейски съюз

Цел на проекта

The global production of polyethylene is over 100 million tones annually. Carbon dioxide is a major cause of global warming but at the same time, it is also an abundant feedstock for hydrocarbon energy fuels. Electrochemical reduction of CO2 into valuable chemical feedstocks such as polyethylene is a highly enticing challenge for simultaneous settling of energy and environmental issues.Currently, CO2 conversion to polyethylene occurs through an indirect two-step process including CO2 catalytic conversions to ethylene (CO2 hydrogenation) and ethylene to polyethylene (ethylene polymerization) using two different catalysts, separately. The novelty of my research is constructing a bifunctional catalyst for CO2 direct conversion to polyethylene through a cascade of electro-reduction–polymerization catalysis in the presence of water. So far, a catalyst that sequentially transforms CO2 into polyethylene has not yet been presented. Manifold catalysts have been demonstrated as potential candidates for CO2 polymerization to polyethylene. The state-of-the-art catalysts as constituents of the proposed bifunctional catalyst would be Copper and Palladium. Cu is responsible for binding *CO intermediates and converting them into C2H4 and Pd is highlighted for ethylene polymerization after Ziegler-type and metallocene-type catalysts. Using computational software packages, I will develop a multiscale and multiphysics model of direct CO2 electrochemical reduction to polyethylene over Cu-Pd bifunctional catalyst to predict the intermediates and products. To achieve this goal, I will carry out a quantum chemical analysis of the reaction pathway, a microkinetic model of the reaction dynamics, and a continuum model for mass transport of all species through the electrolyte. In parallel, computational achievements will be executed experimentally to produce a creative bifunctional catalyst from merging two different catalysts for the CO2 cascade transformation to polyethylene directly.

Оригинален текст от CORDIS (на английски).

Участници

KEMIJSKI INSTITUT · LjubljanaКоординаторСловения