Materials for the capture of greenhouse gases. Evaluation and optimization by molecular simulation

      Аннотация: The establishment of a global limit on the emissions of greenhouse gases has been hindered by the complexity to prove the effects of manmade greenhouse gases on a global scale. In order to achieve a sustainable development it is important to limit, and when possible eliminate, emissions of industrial greenhouse gases to the atmosphere. In this context, adsorption has been established as one of the best cost-effective means of reducing emissions of greenhouse gases in the short-term. Thus, in this book, the main objective is to study at a molecular level the adsorption of greenhouse gases and to obtain a better insight into the capture processes for their future optimization. This work highlights different possibilities for the capture and separation of greenhouse gases and provides new tools for evaluating and optimizing capture systems. It shows the use of basic research in Materials Science as an established tool for evaluating and optimizing thermodynamics of engineering processes.

Ключевые слова: adsorption, greenhouse gases, Molecular Simulation