Computational and experimental study of the behavior of cyano-based ionic liquids in aqueous solution

The solvation of cyano- (CN-) based ionic liquids (ILs) and their capacity to establish hydrogen bonds (H-bonds) with water was studied by means of experimental and computational approaches. Experimentally, water activity data were measured for aqueous solutions of ILs based on 1-butyl-3-methylimidazolium ([BMIM](+)) cation combined with one of the following anions: thiocyanate ([SCN](-)), dicyanamide ([DCA](-)), or tricyanomethanide ([TCM](-)), and of 1-ethyl-3-methylimidazolium tetracyanoborate ([EMIM][TCB]). From the latter data, water activity coefficients were estimated showing that [BMIM][SCN] and [BMIM][DCA], unlike [BMIM][TCM] and [EMIM][TCB], are able to establish favorable interactions with water. Computationally, the conductor like screening model for real solvents (COSMO-RS) was used to estimate the water activity coefficients which compare well with the experimental ones. From the COSMO-RS results, it is suggested that the polarity of each ion composing the ILs has a strong effect on the solvation phenomena. Furthermore, classical molecular dynamics (MD) simulations were performed for obtaining an atomic level picture of the local molecular neighborhood of the different species. From the experimental and computational data it is showed that increasing the number of CN groups in the ILs' anions does not enhance their ability to establish H-bonds with water but decreases their polarities, being [BMIM][DCA] and [BMIM][SCN] the ones presenting higher propensity to interact.

Experimental study of temperatures during drilling of ex-vivo bovine bones

The thermal bone necrosis induced during a drilling process is a frequent and potential phenomenon, which contributes to post-operative problems. The frictional heat generated from the contact between the drill bit and the hole wall is unavoidable. However, understanding advanced techniques for acquiring reliable thermal data on bone drilling is important to ensure the quality of the drilled hole. The purpose of this study is to present two different experimental methods to analyse the drilling conditions that generate the lower temperatures, avoiding the occurrence of thermal bone necrosis. Ex-vivo bovine bones were used to simulate the drilling process considering the effect of drill bit diameter, drill speed and feed-rate. Different experiments were performed to assess the repeatability of the tests. The results identified the drill bit diameter as the most critical parameter for inducing higher temperatures in bone drilling.

Experimental study of temperatures during drilling of ex-vivo bovine bones

he thermal bone necrosis induced during a drilling process is a frequent and potential phenomenon, which contributes to post-operative problems. The frictional heat generated from the contact between the drill bit and the hole wall is unavoidable. However, understanding advanced techniques for acquiring reliable thermal data on bone drilling is important to ensure the quality of the drilled hole.