Method for analyzing infiltration effect of fire extinguishing additive on wood surface based on molecular simulation

The invention relates to a method for analyzing the infiltration effect of a fire extinguishing additive on a wood surface based on molecular simulation. The method comprises the following steps: firstly, constructing a cellulose-additive-water molecule wetting model by using molecular simulation so...

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Bibliographische Detailangaben
Hauptverfasser: MENG YUNQING, ZHOU ZIHAN, LYU CHUNHUI, FU YUNLIAN, LYU YINGPEI
Format: Patent
Sprache:chi ; eng
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Zusammenfassung:The invention relates to a method for analyzing the infiltration effect of a fire extinguishing additive on a wood surface based on molecular simulation. The method comprises the following steps: firstly, constructing a cellulose-additive-water molecule wetting model by using molecular simulation software; analyzing the adsorption process, the adsorption capacity, the adsorption energy, the water molecule mean square displacement, the diffusion coefficient and the relative concentration distribution based on Materials Studio software; the dynamic wetting process of the liquid drops and the wood surface is analyzed on the basis of LAMMPS and Ovito; and verifying and debugging the molecular model in combination with a contact angle experiment. The defects that an existing fire extinguishing additive is low in development efficiency, long in development period and high in experiment cost are overcome, the mechanism of the fire extinguishing additive for improving the wood surface wetting effect is disclosed from