Browsing University of Waterloo by Author "Yuan, Yue"
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A density functional theory analysis on syngas adsorption on NiO (100) surface
Yuan, Yue; Dong, Xiuqin; Ricardez-Sandoval, Luis (Elsevier, 2019-12-31)Oxygen carrier (OC) design can effectively improve the performance of chemical looping combustion (CLC) and realize fossil fuel combustion at low energy-cost CO2 capture. This study describes the adsorption principles of ... -
A Multi-scale model for CO2 capture: A Nickel-based oxygen carrier in Chemical-looping Combustion
You, Huabei; Yuan, Yue; Li, Jingde; Sandoval, Luis Ricardez (Elsevier, 2018-01-01)In this work, we present a multi-scale modelling framework for the Ni-based oxygen carrier (OC) particle that can explicitly account for the complex reaction mechanism taking place on the contacting surface between gas and ... -
Multi-scale Modelling of Oxygen Carriers in Chemical Looping Combustion Process
Yuan, Yue (University of Waterloo, 2021-01-08)Climate change is one of the major concerns affecting society. Given the severe effects of global warming, efficient CO2 capture and storage (CCS) technologies have become an urgent necessity. One of the major challenges ... -
Recent advances on first-principles modeling for the design of materials in CO2 capture technologies
Yuan, Yue; You, Huabei; Ricardez-Sandoval, Luis (Elsevier, 2018-11-10)Novel technologies in consideration of industrial sustainability (IS) are in urgent need to satisfy the increasing demands from the society. IS realizes the production of materials and while maintaining environmental and ...