Monte Carlo simulations of binary Lennard-Jones crystals with mole fraction x=0.5 are performed at constant temperature and pressure. In our symmetric model, the interactions between equal particles are the same (εDD=εLL and σDD=σLL). The interaction between D and L particles is changed by εDL=eεDD and σDL=sσDD. The parameters e and s represent interaction strength and distance, respectively, as deviations from the Lorentz–Berthelot mixing rules. Gibbs energies were calculated to determine the stable crystal structure as a function of e and s, separately. This resulted in demixing for e<0.93 and solid solutions for e>1, with a weak transition to a substitutionally ordered fcc at e>1.8. Variation of s resulted in various crystal structures: a CsCl structure for 0.8<s⩽0.95, NaCl structure for 0.6⩽s⩽0.8, ZnS structures with gradual transition to a double fcc structure for s<0.6. We conclude that small variations in the interactions between unlike particles in a mixture suffice to change the crystal structure completely.

The steel packaging industry faces the dual challenge imposed by legislation to eradicate the use of Chrome(VI) from substrate manufacture and the removal of Bisphenol-A (BPA) from the organic lacquer at the point of food contact. The paper reports on an experimental investigation into the quality of adhesion between the coatings and substrates as a result of the retort process, typically the harshest conditions to which the materials will be exposed. In terms of adhesion, the novel Chrome(III) substrates show promise when compared with current Chrome(VI) substrate. There is a significant reduction in the adhesion of the polyester-based Bisphenol-A non-intent lacquers compared to the incumbent epoxy-phenolic lacquers. Adhesion performance is lower with an increase in retort temperature and time of exposure. The adhesion further reduces in mild acidic and saline conditions. The reduction in adhesion post-retort is attributed to the sensitivity of the polyester-based BPANI lacquers to water vapour absorption. The process reversible nature of the adhesion loss indicates that, at short timescales, the adhesion loss is a result of polyester hydrolysis. Acidic and saline solutions also lead to a reduction in adhesion as a result of metal surface corrosion. The paper has impact on producers, fillers and consumers of steel packaging foodstuffs.

Steel packaging remains an important mean by which foodstuffs and other products can be stored safely for a prolonged period of time. The industry is being challenged by the dual legislative pressures which require the elimination of Chrome (VI) from the manufacturing process and the elimination of bisphenol A as a component from the lacquer system. Initial indications suggest lower adhesive performance, and it has been postulated that thermal treatment may be a mean of improving adhesion. Three substrates (two current and one future) were physically and chemically characterized prior and post treatment and the resultant impact of adhesion was quantified. The net impact of the thermal treatment is that it increases the adhesion of the lacquer on the surface. As there is minimal change in the physical characteristics of the surface, the authors propose that this is a result of changes in the chemical surface species, particularly the increase in the oxidic nature of each of the substrates which provides additional bonding sites for the organic species in the lacquer. These trends are observed for current substrate materials as well as next generation Chrome VI free substrate. Next generation replacement substrate materials perform better than current materials for dry adhesion while next generation bisphenol A non-intent lacquer materials perform poorer than the current epoxy phenolic materials.

As the most studied two-dimensional (2D) material from the MXene family, Ti3C2T x has constantly gained interest from academia and industry. Ti3C2T x MXene has the highest electrical conductivity (up to 24,000 S cm–1) and one of the highest stiffness values with a Young’s modulus of ∼ 334 GPa among water-dispersible conductive 2D materials. The negative surface charge of MXene helps to disperse it well in aqueous and other polar solvents. This solubility across a wide range of solvents, excellent interface interaction, tunable surface functionality, and stability with other organic/polymeric materials combined with the layered structure of Ti3C2T x MXene make it a promising material for anticorrosion coatings. While there are many reviews on Ti3C2T x MXene polymer composites for catalysis, flexible electronics, and energy storage, to our knowledge, no review has been published yet on MXenes’ anticorrosion applications. In this brief report, we summarize the current progress and the development of Ti3C2T x polymer composites for anticorrosion. We also provide an outlook and discussion on possible ways to improve the exploitation of Ti3C2T x polymer composites as anticorrosive materials. Finally, we provide a perspective beyond Ti3C2T x MXene composition for the development of future anticorrosion coatings.

Legislative pressures have led to the mature dominant chromium-coated steel (ECCS) substrate and epoxy phenolic lacquer replacement in Europe. An investigation was carried out to examine the interaction between a steel surface engineered with a novel, developmental substrate coated using Cr (III)-based electrolytes and the food stuff being canned. Samples of lacquered material were subjected to a typical retort process (121°C for 90 minutes) and examined using a variety of laboratory analytical techniques. The foodstuff being packaged has a significant impact on the substrate/lacquer adhesion with clear differences in failure mechanisms between foodstuffs. There is clear evidence of chemical species transfer through the next generation lacquer, and this can instigate corrosion at the surface where incomplete chromium coverage leads to exposed iron. In general, the novel developmental material exhibits lower adhesive properties and shows a greater sensitivity to the foodstuff, although this is largely attributed to the homogeneity of the coverage. The novel substrate proves to be a promising alternative to ECCS due to REACH legislation, but improvement is required to achieve equivalent performance.