Wood is a typical natural polymer,understanding the role of water on the micro-nanostructure of wood at molecular scale is a key and challenging topic in the field of wood-water interaction.In the paper,the general process of molecular dynamics(MD)simulation was briefly introduced.Based on this,the applications of MD simulation in the field of wood-water interaction in recent years were emphatically summarized,with the latest research progress concerning the interaction between cell wall components,including cellulose,hemicellulose,lignin and their interfaces with water,and the future perspective was also suggested to facilitate a comprehensive understanding of the interaction mechanism between wood and water.
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