Condensed phases, high pressure chemical

Nitrogen. Molecular nitrogen N2 has a dissociation energy of 950 kJ/mol, and the N-N triple bond is one of the strongest known chemical bond. Shock-wave experiments disclosed the possibility of N-N dissociation in condensed phases [224, 319-322]. From this an interest arose in the possible obtainment of arrays of N-N single bonds that could form in potentially energetic materials. Ab initio calculations of various kinds [323-327] showed that actually at high pressure... 

Undoubtedly, mass spectrometric detection has a substantial role to play in condensed-phase chromatographic analyses of toxic impurities. As in GC/MS, it can be highly sensitive, although this is probably more analyte-specific than in GC/MS. Selectivity can be gained by SIM on single quadrupoles or, if necessary, SRM on MS/MS instruments. What must be considered is the appropriate ionisation mode to be used in LC/MS. Most modern instruments use atmospheric pressure ionisation sources, including electrospray ionisation (ESI), atmospheric pressure chemical ionisation (APCI) and more recently atmospheric pressure photoionisation (APPI). 

MD simulations of shock-induced chemistry for condensed-phase explosives, and for biologically and astrophysically relevant molecules such as amino acids, will be attainable. Such simulations will provide a unique contribution to the understanding of complex chemical phenomena occurring at ultrafast timescales under experimentally challenging conditions of high temperature and pressure. 

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