Experimental and theoretical studies on the thermal stability and decomposition mechanism of HFO-1336mzz(Z) with POE lubricant

摘要

Thermal stability and decomposition mechanism of HFO-1336mzz(Z) with polyol ester (POE) lubricant were experimentally and theoretically investigated. The experimental results showed that the dissociation temperature range of HFO-1336mzz(Z) with lubricant at 4 MPa was 250-270 degrees C. ReaxFF force field was carried out to investigate the thermal decomposition mechanism of HFO-1336mzz(Z) with lubricant (PEC4). The breakage of C-O bond in PEC4 molecule to generate the oleic acid chain (C4H7O2 radical) was the dominant initiation reaction and then C4H7O2 radical was decomposed to form CO2 molecule and hydrocarbon radicals. These hydrocarbon radicals will continue to decompose or react with other radicals to generate more small molecular products. The radicals obtained from the dissociation of PEC4 will react with HFO-1336mzz(Z) to dissociate HFO-1336mzz(Z). HF, CO2 and C2H4 were the main decomposition products obtained from ReaxFF simulations. The reaction temperature and lubricant content promotes the thermal decomposition of HFO-1336mzz(Z) and the formation of decomposition products.