Measurement of Diffusion Coefficients Important in Modeling the Absorption Rate of Carbon Dioxide into AqueousN-Methyldiethanolamine

1997 ◽  
Vol 42 (2) ◽  
pp. 310-317 ◽  
Author(s):  
Richard L. Rowley ◽  
Michael E. Adams ◽  
Tonya L. Marshall ◽  
John L. Oscarson ◽  
W. Vincent Wilding ◽  
...  
Keyword(s):  
Carbon Dioxide ◽  
Diffusion Coefficients ◽  
Absorption Rate

scholarly journals Unveiling Carbon Dioxide and Ethanol Diffusion in Carbonated Water-Ethanol Mixtures by Molecular Dynamics Simulations

Molecules ◽  
2021 ◽  
Vol 26 (6) ◽  
pp. 1711
Author(s):  
Mohamed Ahmed Khaireh ◽  
Marie Angot ◽  
Clara Cilindre ◽  
Gérard Liger-Belair ◽  
David A. Bonhommeau
Keyword(s):  
Carbon Dioxide ◽  
Molecular Dynamics ◽  
Diffusion Coefficients ◽  
Hydrodynamic Radius ◽  
Md Simulations ◽  
Molecular Models ◽  
Experimental Values ◽  
Carbon Dioxide Co2 ◽  
Dynamics Simulations ◽  
Apparent Disagreement

The diffusion of carbon dioxide (CO2) and ethanol (EtOH) is a fundamental transport process behind the formation and growth of CO2 bubbles in sparkling beverages and the release of organoleptic compounds at the liquid free surface. In the present study, CO2 and EtOH diffusion coefficients are computed from molecular dynamics (MD) simulations and compared with experimental values derived from the Stokes-Einstein (SE) relation on the basis of viscometry experiments and hydrodynamic radii deduced from former nuclear magnetic resonance (NMR) measurements. These diffusion coefficients steadily increase with temperature and decrease as the concentration of ethanol rises. The agreement between theory and experiment is suitable for CO2. Theoretical EtOH diffusion coefficients tend to overestimate slightly experimental values, although the agreement can be improved by changing the hydrodynamic radius used to evaluate experimental diffusion coefficients. This apparent disagreement should not rely on limitations of the MD simulations nor on the approximations made to evaluate theoretical diffusion coefficients. Improvement of the molecular models, as well as additional NMR measurements on sparkling beverages at several temperatures and ethanol concentrations, would help solve this issue.

scholarly journals Characterization of Alkanolamine Blends for Carbon Dioxide Absorption. Corrosion and Regeneration Studies

2021 ◽  
Vol 13 (7) ◽  
pp. 4011
Author(s):  
Alfredo Sánchez-Bautista ◽  
Ester M. Palmero ◽  
Alberto J. Moya ◽  
Diego Gómez-Díaz ◽  
M. Dolores La Rubia
Keyword(s):  
Carbon Dioxide ◽  
Surface Tension ◽  
Energy Consumption ◽  
Absorption Rate ◽  
Carbon Dioxide Capture ◽  
Regeneration Capacity ◽  
Carbon Dioxide Absorption ◽  
Research Programs ◽  
A Priority

There are a lot of research programs focusing on the development of new solvents for carbon dioxide capture. The most important priority should be reducing the energy consumption needed at the regeneration step, but minimizing solvent degradation and its corrosivity is also considered as a priority. In this research, the aqueous blends of 2-amino-2-methyl-1-propanol (AMP: 1 kmol·m−3) and 1-amino-2-propanol (MIPA: 0.1–0.5 kmol·m−3) are characterized in terms of density, viscosity, and surface tension. The carbon dioxide absorption rate and capacity, the regeneration capacity, and the corrosivity of these solvents are also evaluated.

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