co 2 Simulation method for performance research of intelligent response type temperature-resistant and salt-resistant tertiary amine foam system
A foam system and simulation method technology, applied in chemical instruments and methods, drilling composition, design optimization/simulation, etc., can solve the response mechanism, the mechanism of temperature resistance and salt resistance has no clear explanation, and ordinary foam cannot achieve intelligence Response, poor temperature and salt resistance, etc., to achieve the effects of fast calculation, good foam stability, good foam stability and response performance
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Embodiment 1
[0056] like image 3 As shown, the design of SDS / D-3-TEDTA 2 foam system under the conditions of temperature 298K and salinity 0mg / L:
[0057] 1) Build the initial model
[0058] The tertiary amine surfactant molecule N-dodecyl-N,N-dimethyl tertiary amine (C 12 A), traditional anionic surfactant molecules sodium dodecyl sulfate (SDS) and water molecules, by adding 1 temperature-resistant group thiophene group, 3 anti-salt groups ethoxy group to tertiary amine surfactant Molecular N-dodecyl-N,N-dimethyl tertiary amine (C 12 A) Modified design to obtain D-3-TEDTA 2; 36 SDS and 36 D-3-TEDTA2 were compounded 1:1 by Amorphous Cell tool and build layer tool and mixed with 2042 water molecules to construct SDS / Initial interface model of the D-3-TEDTA 2 foam system. The box size is 4.368×4.368×3.2nm 3 , and a 5nm vacuum layer was added to the upper and lower sides of the box.
[0059] 2) Optimize the initial interface model of the SDS / D-3-TEDTA 2 foam system
[0060] The init...
Embodiment 2
[0066] like Figure 4 As shown, under the conditions of temperature 363K and salinity 0mg / L, the design of SDS / D-3-TEDTA2 foam system:
[0067] 1) Build the initial model
[0068] The tertiary amine surfactant molecule N-dodecyl-N,N-dimethyl tertiary amine (C 12 A), traditional anionic surfactant molecules sodium dodecyl sulfate (SDS) and water molecules, by adding 1 temperature-resistant group thiophene group, 3 anti-salt groups ethoxy group to tertiary amine surfactant Molecular N-dodecyl-N,N-dimethyl tertiary amine (C 12 A) Modified design to obtain D-3-TEDTA 2; 36 SDS and 36 D-3-TEDTA 2 were compounded 1:1 by using Amorphous Cell tool and build layer tool and mixed with 2042 water molecules to construct Initial interface model of the SDS / D-3-TEDTA 2 foam system. The box size is 4.368×4.368×3.2nm 3 , and a 5nm vacuum layer was added to the upper and lower sides of the box.
[0069] 2) Optimize the initial interface model of the SDS / D-3-TEDTA 2 foam system
[0070] Us...
Embodiment 3
[0076] like Figure 5 As shown, the design of SDS / D-3-TEDTA 2 foam system under the conditions of temperature 298K and salinity 200000mg / L:
[0077] 1) Build the initial model
[0078] The tertiary amine surfactant molecule N-dodecyl-N,N-dimethyl tertiary amine (C 12 A), traditional anionic surfactant molecules sodium dodecyl sulfate (SDS), water molecules and inorganic salt ions, by adding 1 temperature-resistant group thiophene group, 3 salt-resistant groups ethoxy group to tertiary Amine surfactant molecule N-dodecyl-N,N-dimethyl tertiary amine (C 12 A) Modified design to obtain D-3-TEDTA 2; 36 SDS and 36 D-3-TEDTA 2 were compounded 1:1 with 2042 water molecules, 200000 mg / L using AmorphousCell tool and build layer tool Inorganic salt ions of salinity (100 Na + , 6 Mg 2+ , 6 Ca 2+ , 124 Cl - ) to build the initial interface model of the SDS / D-3-TEDTA 2 foam system. The box size is 4.368×4.368×3.2nm 3 , and a 5nm vacuum layer was added to the upper and lower sides o...
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