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Table 1.

Industrial element analysis of bituminous coal.

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Table 1 Expand

Fig 1.

Experimental solution preparation.

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Fig 1 Expand

Fig 2.

Construction of the bituminous coal molecular model.

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Fig 2 Expand

Table 2.

Surfactant molecular ratio and label in molecular dynamics simulation.

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Table 2 Expand

Fig 3.

Construction of water/compound surfactant/bituminous coal model system.

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Fig 3 Expand

Fig 4.

Surface tension of surfactant solutions at different concentrations.

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Fig 4 Expand

Table 3.

Surface activity parameters of surfactant solutions.

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Table 3 Expand

Table 4.

Surfactant compounding combination and surface tension.

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Table 4 Expand

Table 5.

Dynamic wetting parameters of solution.

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Table 5 Expand

Fig 5.

Dynamic contact angle change.

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Fig 5 Expand

Fig 6.

Adhesion work, spreading work and wetting work of the composite solution.

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Fig 6 Expand

Fig 7.

Surface electrostatic potential distribution of water and bituminous coal.

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Fig 7 Expand

Fig 8.

Surface electrostatic potential distribution of surfactant molecules.

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Table 6.

Interaction energy of single surfactant/water/coal system.

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Table 6 Expand

Table 7.

Interaction energy of composite surfactant/water/coal system.

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Table 7 Expand

Fig 9.

Radial distribution function of hydrophilic groups and water.

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Fig 9 Expand

Fig 10.

MSD curves of each system.

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Fig 11.

The self-diffusion coefficient D of each system.

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Fig 11 Expand

Table 8.

The content of C, O and other elements on the surface of coal samples.

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Table 8 Expand

Fig 12.

XPS spectra of coal samples before and after surfactant treatment.

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Fig 12 Expand

Fig 13.

Results of the split peak fitting of C1s for coal samples.

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Fig 14.

Results of the split peak fitting of O1s for coal samples.

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Fig 15.

Surface morphology of bituminous coal after treatment.

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