Evaluation of gaseous and solid byproducts from chemical reactions

A method for evaluating reaction molecular byproducts, comprising:

• providing a closed calorimetry bomb;
• inserting a material within said calorimetry bomb;
• initiating a charge to detonate said material within said calorimetry bomb, wherein detonation creates gas phase molecules and solids;
• venting said gas phase molecules from said calorimetry bomb through a transfer line comprising two particle filters, an acid trap, and a moisture trap, and into a gas chromatography machine, wherein said gas phase molecules are separated based on polarity;
• injecting said separated gas phase molecules into a mass spectrometer;
• characterizing said separated gas phase molecules in said mass spectrometer by their mass fragmentation;
• extracting said solids within said calorimetry bomb;
• injecting said solids into a liquid chromatography instrument where they are separated based on polarity;
• and
• characterizing said separated solids by their mass fragmentation with a nondestructive wideband photo diode array (PDA) detector and a high-resolution Quadrupole-Time of Flight mass spectrometer.

An apparatus for evaluating reaction molecular byproducts, comprising:

• a closed calorimetry bomb;
• a wire for detonating material within said closed calorimetry bomb;
• a transfer line fluidly connected to said closed calorimetry bomb at a first end and to a gas chromatography machine at a second end;
• a first mass spectrometer connected to said gas chromatography machine;
• a nondestructive wideband photo diode array (PDA) detector and second mass spectrometer;
• wherein said apparatus evaluates reaction molecular byproducts by characterizing gas phase molecules and solids by their mass fragmentation.