• Mechanisms and Reaction Pathways in MEA Degradation; A Computational Study 

      Gupta, Mayuri; Vevelstad, Solrun Johanne; Svendsen, Hallvard Fjøsne (Journal article; Peer reviewed, 2014)
      The mechanistic details on formation of HEGly and HEPO in MEA degradation are studied using the ab initio and density functional theory methods. The energetics of various pathways leading to formation of HEGly and HEPO are ...
    • Solvent Characterization for Post Combustion CO2 capture using Molecular Modeling 

      Gupta, Mayuri (Doktoravhandlinger ved NTNU, 1503-8181; 2013:220, Doctoral thesis, 2013)
      The increase in greenhouse gases in the atmosphere presents has led to an unprecedented warming of the earth and thereby poses serious threats to the environmental and human health. Mitigation of this climate change has ...