Shock Tube/Laser Absorption Measurements of Cyclopentadiene Pyrolysis

Abstract

High-temperature cyclopentadiene pyrolysis was examined behind reflected shock waves in a heated shock tube using several laser absorption diagnostic schemes. A two-color, online−offline sensor near 3335 cm −1 was used to measure time histories of acetylene, while a three-color scheme of diagnostics at 10.532, 10.675, and 11.345 μm yielded measurements of cyclopentadiene and ethylene. Species time histories of cyclopentadiene decomposition and acetylene formation as well as ethylene yields are reported from 1319 to 1678 K at 1.2−1.5 atm. In addition, the overall decomposition rate of cyclopentadiene is reported, and comparisons are made to a number of kinetic models.

An Efficient Method to Generate Dense Amorphous Structures for Molecular Simulation of Vinyl Polymers

“…[ 21 ] Unfortunately, each approach has disadvantages as it is still impossible to accurately reproduce both structural and thermodynamic data within the single model. [ 22–25 ] In addition, these multiscale simulation methods usually need to spend time to obtain the forcefield parameters to set up the model. In this report, we introduce the simulation technique to construct and relax the bulk amorphous polymers based on the available interaction parameters from the literatures, i.e., the RIS model [ 26 ] and LJ potential energy.…”