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pro vyhledávání: '"Dominika O. Wasik"'
Autor:
Dominika O. Wasik, H. Mert Polat, Mahinder Ramdin, Othonas A. Moultos, Sofia Calero, Thijs J. H. Vlugt
Publikováno v:
Journal of Physical Chemistry C, 126(45), 19424-19434. American Chemical Society
The Journal of Physical Chemistry C, 126(45)
The Journal of Physical Chemistry C, 126(45)
There is a growing interest in the development of routes to produce formic acid from CO2, such as the electrochemical reduction of CO2to formic acid. The solubility of CO2in the electrolyte influences the production rate of formic acid. Here, the dep
Autor:
Dominika O. Wasik, Ana Martín-Calvo, Juan José Gutiérrez-Sevillano, David Dubbeldam, Thijs J.H. Vlugt, Sofía Calero
Publikováno v:
Chemical Engineering Journal, 467
Formic acid production from CO2 allows the reduction of carbon dioxide emissions while synthesizing a product with a wide range of applications. CO2 hydrogenation is challenging due to the cost of transition metal catalysts and the toxicity of the tr
Autor:
H. Mert Polat, Thijs J. H. Vlugt, Ahmadreza Rahbari, Frédérick De Meyer, Christophe Coquelet, Othonas A. Moultos, David Dubbeldam, Céline Houriez, Hirad S. Salehi, Remco Hens, Sofia Calero, Dominika O. Wasik
Publikováno v:
Journal of Chemical Information and Modeling, 61(8), 3752-3757. American Chemical Society
Journal of Chemical Information and Modeling
Journal of Chemical Information and Modeling, American Chemical Society, 2021, 61 (8), pp.3752-3757. ⟨10.1021/acs.jcim.1c00652⟩
Journal of Chemical Information and Modeling, 61(8)
Journal of Chemical Information and Modeling
Journal of Chemical Information and Modeling, American Chemical Society, 2021, 61 (8), pp.3752-3757. ⟨10.1021/acs.jcim.1c00652⟩
Journal of Chemical Information and Modeling, 61(8)
We present several new major features added to the Monte Carlo (MC) simulation code Brick-CFCMC for phase- and reaction equilibria calculations (https://gitlab.com/ETh_TU_Delft/Brick-CFCMC). The first one is thermodynamic integration for the computat
Autor:
Dominika O, Wasik, H Mert, Polat, Mahinder, Ramdin, Othonas A, Moultos, Sofia, Calero, Thijs J H, Vlugt
Publikováno v:
The journal of physical chemistry. C, Nanomaterials and interfaces. 126(45)
There is a growing interest in the development of routes to produce formic acid from CO