Molecular Dynamics Simulation of Barnacle Cement

Barnacle cement is an underwater adhesive that is used for permanent settlement. Its main components are insoluble protein complexes that have not been fully studied. In present article, we chose two proteins of barnacle cement for study, 36-KD protein and Mrcp-100K protein. In order to investigate the characteristic of above two proteins, we introduced the method of molecular modeling. And the simulation package GROMACS was used to simulate the behavior of these proteins. In this article, before the simulations, we introduce some theories to predict the time scale for polymer relaxation. During the simulation, we mainly focus on two properties of these two proteins: structural stability and adhesive force to substrate. First, we simulate the structural stability of two proteins in water, and then the stability of 36-KD protein in seawater environment is investigated.We find that the stability varies in the different environments. Next, to study adhesive ability of two proteins, we simulate the process of peeling the two proteins from the substrate (graphite). Then, we analyze the main reasons of these results. We find that hydrogen bonds in proteins play an important role in the protein stability. In the process of the peeling, we use Lennard–Jones 12-6 potential to calculate the van der Waals interactions between proteins and substrate.

The influence of corrosion on the erosion of aluminium by aqueous silica slurries

The slurry erosion-corrosion behaviour of aluminium in aqueous silica slurries containing 0.5 M NaCl, acetic acid and 0.1 M Na2CO3 at open circuit has been investigated using a modified slurry erosion rig. The erosion rates of aluminium in the NaCl and acetic acid slurries were much higher than those in an aqueous slurry without electrolyte additives even though the pure corrosion component was very small. Eroded specimens were examined by scanning electron and optical microscopy. In pure aqueous slurry erosion, the basic mechanism leading to mass loss was the ductile fracture of flakes formed on the eroded surface. In corrosive slurries, however, the mass loss was enhanced by cracking of the flakes induced by stress and corrosion. © 1995.

Equivalent Model Of Expansion Of Cement Mortar Under Sulphate Erosion

The expansion property of cement mortar under the attack of sulfate ions is studied by experimental and theoretical methods. First, cement mortars are fabricated with the ratio of water to cement of 0.4, 0.6, and 0.8. Secondly, the expansion of specimen immerged in sulphate solution is measured at different times. Thirdly, a theoretical model of expansion of cement mortar under sulphate erosion is suggested by virtue of represent volume element method. In this model, the damage evolution due to the interaction between delayed ettringite and cement mortar is taken into account. Finally, the numerical calculation is performed. The numerical and experimental results indicate that the model perfectly describes the expansion of the cement mortar.

Variation Of Flexural Strength Of Cement Mortar Attacked By Sulfate Ions

Under the environment of seawater, durability of concrete materials is one of the chief factors considered in the design of structures. The decrease of durability of structures is induced by the evolution of micro-damage due to the erosion of chlorine and sulfate ions, which is characterized by the reduction of modulus, strength, and toughness of the material. In this paper, the variation of the flexural strength of cement mortar under sulfate erosion is investigated. The results obtained in present work indicate that the erosion time, concentration of sulfate solution, and water-to-cement ratio will significantly affect the flexural strength. Crown Copyright (c) 2008 Published by Elsevier Ltd. All rights reserved.

Damage Evolution In Cement Mortar Due To Erosion Of Sulphate

Ultrasonic technique is used to detect the velocity change of stress wave propagated in the cement mortar immersed in the solution of sodium sulfate for 425 days. Also the density change of specimens at different erosion time is measured. By curve fitting, the effect of solutions' concentration and water/cement ratio on the damage evolution is analyzed. The SEM observation on the growth of delayed ettringite is also performed. It shows that the damage evolution of specimens attacked by sulphate solution is dominantly induced by the nucleation and growth of delayed ettringite, and the average size of microvoids in cement mortar affects the damage evolution significantly. (c) 2008 Elsevier Ltd. All rights reserved.