Page 132 - Gas Wettability of Reservoir Rock Surfaces with Porous Media
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116 Gas Wettability of Reservoir Rock Surfaces with Porous Media
FIGURE 3.27
Frontier molecular orbits of sandstone model 2#.
FIGURE 3.28
#
Frontier molecular orbits of wettability alteration agent 1 .
FIGURE 3.29
#
Frontier molecular orbits of wettability alteration agent 2 .
four calculated models. In the image, the net structure refers to the position of
HOMO or LUMO. It is concluded that the HOMO orbits of two kinds of gas-
wetting alteration agents are all located in groups free from fluorine, while
LUMO orbit occupies fluorocarbon functional groups.
Based on frontier molecular orbit theory, for mutually attracted molecules A
and B, the HOMO orbit of molecule A acts on the LUMO orbit of molecule B,
