Descripción del proyecto
THIS PROJECT AIMS AT PROVIDING A COMPREHENSIVE DESCRIPTION OF THE BEHAVIOUR OF A VARIETY OF SYSTEMS WHICH BASICALLY HAVE IN COMMON THE PRESENCE OF EXTENDED INTERCONNECTED NETWORKS, MOSTLY, BUT NOT EXCLUSIVELY, CONSTITUTED BY HYDROGEN BONDS, THE PECULIAR NATURE OF THE HYDROGEN BOND UNDERLIES THE ANOMALOUS BEHAVIOUR OF WATER, WHILE SIMPLE AMPHIPHILES SUCH AS SHORT CHAIN ALCOHOLS ARE KNOWN TO ENHANCE ITS ANOMALOUS BEHAVIOUR AND EPITOMISE THE INTERPLAY BETWEEN HYDROPHOBIC/HYDROPHILIC FORCES AND SOLVENT STRUCTURE BUILD-UP EFFECTS, OUR STUDY WILL ADDRESS BOTH BULK PHASES, AS WELL AS INTERFACES AND SOLUTIONS UNDER CONFINEMENT, INCLUDING THE STUDY OF CRYSTAL GROWTH AND NETWORK FORMATION ON THE SURFACE OF ICE, IN PARALLEL WITH THE USE OF REALISTIC MODELS, WE INTEND TO CONSIDER AS WELL THE SELF-ASSEMBLY OF WATER-MIMICKING COLLOIDS, ON WHICH THE NETWORK FORMING ABILITIES CAN BE TUNED AT WILL IN THE LAB, WE INTEND TO PROVIDE A UNIFYING VIEW FOR THESE PROBLEMS BY MEANS OF DETAILED COMPUTATIONAL STUDIES -BOTH RESORTING TO COMPUTER SIMULATION AND THEORY- OF THE MICROSCOPIC STRUCTURE, THERMODYNAMICS, AND DYNAMICS OF WATER, DILUTE WATER SOLUTIONS, IONIC LIQUIDS AND COLLOIDS, THE AIMS OF THIS PROJECT ARE OF FUNDAMENTAL INTEREST TO BETTER UNDERSTAND THE PHYSICAL CHEMISTRY OF NETWORK FORMING SYSTEMS AND THEIR PHASE BEHAVIOUR, BUT ALSO BEAR A CONSIDERABLE PRACTICAL AND TECHNOLOGICAL INTEREST, WITH POTENTIAL APPLICATIONS IN THE BIOFUEL INDUSTRY AND ATMOSPHERIC SCIENCES, EQUILIBRIO DE FASES\INTERFASES\COLOIDES\DISOLUCIONES ACUOSAS\PUENTES DE HIDRÓGENO\SIMULACIÓN MOLECULAR\ECUACIONES INTEGRALES