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To combat the limitations of previous models, the Khalifa team considered non-monetised key performance indicators including purity of CO 2 captured, quantity of CO 2 recovered and energy required for the capture process. The multiscale modelling approach integrates models using different timescales to screen adsorbents for solid-based post-combustion CO 2 capture Source: © Ahmed Alhajaj and Lourdes Vega/Khalifa University of Science and Technology Existing models for evaluating adsorbents often fail to properly consider the size of equipment, operating variables and cost, leading to inconsistencies in performance following process scale-up. Molecular simulations generate adsorption data on the molecular level for screening materials, while the dynamic process model simultaneously optimises operating conditions and provides a technoeconomic analysis.Īl Hajaj explains that currently ‘most of these materials are only evaluated at the lab scale with limited operating conditions, without knowing how they will actually perform at industrial conditions.’ Generally, only more established zeolite adsorbents have been tested extensively at the pilot scale. The tool, developed by Ahmed Al Hajaj, Lourdes Vega and colleagues at the Khalifa University of Science and Technology, integrates molecular simulations with a dynamic process model. Researchers in the United Arab Emirates have developed and validated a tool for assessing the potential performance and economic viability of newly developed adsorbents for post-combustion CO 2 capture.