Hello, A yearly allocation for the LCRC cluster has been requested with the following updated information: Submitter/PI: Alexander Landera Project Name: udmh_pyrolysis Division: CSE Project title: Pyrolysis of UDMH and other propellants Associated funding: DOE-BSE and Army Research Office (ARO) Other Systems: linus.tcg.anl.gov pople.tcg.anl.gov Science: The Science objectives for this project is to investigate the long range interactions involved in the pyrolysis of UDMH and other similar propellants. This includes roaming reactions, which involves the partial dissociation of a fragment along with long range relative fragment reorientation, and finally abstraction by one of the fragments. This will aid in understanding the complicated dynamics involved in the pyrolysis of propellants containing heteratoms, such as nitrogen and oxygen. Project description: At this point, we have successfully finished the investigation of UDMH as it pertains to relevant roaming mechanisms, and calculating total (pressure and temperature dependent) rate constants. Our study revealed that a significant fraction of the products formed come from a roaming mechanism. Roaming is a recently discovered mechanism by which rather than a molecule dissociating into two radicals, it dissociates in such a way as to produce to closed shell molecules instead. It has profound influences on combustion mechanisms, and has been observed in all kinds of medium from combustion, astrochemistry, and even the condensed phase. Now that the UDMH project has been wrapped up, we are now moving on to study a related molecule (methylnitroamine) with the formula (CH3NHNO2). While related to UDMH, it has the significant difference of having both oxygen and nitrogen atoms. We anticipate that dissociation reactions will depend highly on the long range interactions between dissociation fragments. A close examination of the long range Potential Energy Surface(PES) will be required in order to calculate total rate constants and obtain accurate branching ratios. The extra allocation I am asking for will go towards understanding the chemistry involved in this reaction. Industry partnership: Project URL: Current FY Hours Used: undetermined amount New FY Requested allocation: 200000 Q1: 50000 Q2: 50000 Q3: 50000 Q4: 50000 Justification: Storage requirements: 1 TB of space will be more than sufficient. Thank You, The LCRC Accounts System