Electrospray systems are an effective methodology for generating uniform submicrometer sized charged droplets, initially containing a dissolved solute or nanoparticle inclusions, producing particles from the droplets. In this work, we develop a model for charged droplet drying to predict the final size and resultant charge of the particles. The model accounts for solvent evaporation, solute/nanoparticle diffusion, the collision and aggregation of nanoparticles, coulombic fission and ion evaporation processes. The competition among these subprocesses determines the final size and charge. The model equations are cast into nondimensional forms for generalization. The governing dimensionless parameters are derived and their influences on the final particle size and charge are investigated numerically. The most important parameters are the non-dimensional characteristic diffusion time, non-dimensional characteristic coagulation time, non-dimensional flow rate and coulombic fission related loss. An analytical solution is obtained in the case of slow drying.
"The rise of cheminformatics and bioinformatics has led to a faster and more efficient drug discovery process as well as to a better understanding of molecular behaviour."
"Molecules are complex structures and their representations must account not only for a wide variety of properties, such as stereochemistry and valence, but also for the different nature of these small molecules and macromolecules."
Disinfection byproducts (DBPs) are toxic, bioaccumulative, and carcinogenic, and their formation occurs through the reaction between the disinfectant and organic compounds. Residual free chlorine generates DBPs, which are a group of organic and inorganic compounds formed by reactions between disinfectants and organic matter present in water. Trihalomethanes (THMs) and halogenated acetic acids (HAAs) are the most commonly found DBPs in drinking water and in swimming pools, but there are other minorities such as chloramines or halophenols. In a study conducted in Medellin it was observed that the concentration of free residual free chlorine and the temperature favor a higher concentration of THMs and HAAs.