Gao, Xunming, Zhao, Jian, Fei, Lihua, Ma, Xueyi, Liu, Jiahui, and Zhao, Dong
• Determination of cellulose, hemicellulose, and lignin contents of three species of archaeological wood in the Quanzhou Song shipwrecks. • Characterisation of salt-forming elemental compositions of the three species of archaeological wood in the Quanzhou Song Shipwrecks. • Changes in the mechanical properties of the amorphous components (amorphous cellulose, hemicellulose, and lignin) of the three waterlogged archaeological wood samples were compared with those of sound wood based on molecular dynamics simulations. • The molecular mechanisms underlying the effects of soluble salts (sodium chloride) on the mechanical properties of water-soaked archaeological wood were revealed. Sodium chloride (NaCl) is the main soluble salt component of marine waterlogged archaeological wood, and it causes deterioration of wood fibres. In this study, a molecular dynamics simulation of three types of archaeological wood from the Quanzhou Song Shipwreck was employed to investigate the impact of NaCl on the mechanical properties of amorphous components consisting of amorphous cellulose, hemicellulose, and lignin. The findings revealed that water molecules bound to the fibres enhanced the mechanical performance of the woody fibres. However, NaCl affected the stability and mechanical properties of the amorphous components. By using molecular dynamics simulations, 24 sets of amorphous fibre models, consisting of fir, pine, and camphorwood with salt concentrations ranging from 0 % to 7 %, were constructed to further analyse the influence of salt content on the mechanical properties of the amorphous components. The results showed that all three species of archaeological wood exhibited similar trends, with the adsorption energy and radial distribution function between wood fibres and water molecules decreasing with increasing NaCl concentration, leading to the gradual rupture of hydrogen bonds in water molecules. Consequently, more water molecules engage in ion hydration, resulting in an increase in the amount of free water within the amorphous regions. This, in turn, degrades the mechanical properties of the amorphous components. This study contributes significantly to a comprehensive understanding of the mechanical properties of marine archaeological wood and is important for decision-making in studies related to the preservation and evaluation of marine waterlogged wooden artefacts. [Display omitted] [ABSTRACT FROM AUTHOR]