Table 3 Binding energy of CO2 with MMA/BA/monomer copolymers (ΔECO2), in kJ·mol−1. Distance between CO2 and the polymer (D), in Å. C=O bond length (Ri), in Å, and O=C=O angle (α), in degrees, of CO2 molecule.

From: Experimental and theoretical study of the effect of different functionalities of graphene oxide/polymer composites on selective CO2 capture

 

Am

AEMH

BS

GMA

HEMA

MClA

NaSS

ΔECO2

− 13.4

− 14.7

− 9.5

− 18.3

− 24.2

− 14.7

− 33.4

D

3.008

2.230

3.697

3.038

2.208

3.074

3.072

R1

1.163

1.164

1.165

1.164

1.167

1.167

1.174

R2

1.167

1.150

1.165

1.166

1.163

1.163

1.156

α

176.7

176.5

179.2

177.0

177.4

178.2

175.8

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