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Applied Adhesion Science

Table 3 Self-diffusion coefficients for each molecular group for both computational systems CS1-EB and CS2-EC

From: Molecular simulation on carbon dioxide fixation routes towards synthesis of precursors for innovative urethanes

 

Molecular group

Diffusion D (10 −5  cm 2  s −1 )

Computational System 1 CS1 - EB

EB

2.70

CO2

2.25

TEAB

2.32

Computational System 2 CS2 - EC

EC

6.65

CO2

6.64

TEAB

6.37

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