The supercritical organic Rankine cycle (SORC) system is a promising solution for the recovery of low-grade heat resources and for the utilization of geothermal energy. The thermal stability of the organic working fluid is one of most important criteria for establishing the SORC. Therefore, it is very important to understand the mechanism of thermal decomposition of the organic working fluid. In this study, decomposition experiments and theoretical calculations using the density functional theory (DFT) method were performed to evaluate the thermal stability and elucidate the mechanism of decomposition of a new-generation working fluid, (1E)-1,3,3,3-tetrafluoropropene (HFO-1234ze(E), CFHCHCF₃). The main decomposition products included pentafluoroethane (CF₂HCF₃), 1,1,1-trifluoroethane (CH₃CF₃), and 2,3,3,3-tetrafluoropropene (CH₂CFCF₃). HF, the key molecule, is produced and consumed multiple times throughout the course of the decomposition reaction. HFO-1234ze(E) decomposed to C1C2 hydrofluorocarbons (HFCs) and hydrofluoroolefins (HFOs) under moderate operating conditions. On the other hand, under harsher operating conditions, the formation of long-chain HFCs and HFOs with C3C5 was experimentally observed, where these species can be produced from the reactions between the decomposition intermediates.

超临界有机朗肯循环（SORC）系统是回收低品位热资源和利用地热能的有前途的解决方案。有机工作流体的热稳定性是建立SORC的最重要标准之一。因此，了解有机工作流体的热分解机理非常重要。在这项研究中，使用密度泛函理论（DFT）方法进行了分解实验和理论计算，以评估热稳定性并阐明新一代工作流体（1 E）-1,3,3，的分解机理， 3-四氟丙烯（HFO-1234ze（E），CFH CHCF ₃）。主要分解产物包括五氟乙烷（CF ₂HCF ₃），1,1,1-三氟乙烷（CH ₃ CF ₃）和2,3,3,3-四氟丙烯（CH ₂ CFCF ₃）。在分解反应的整个过程中，关键分子HF被多次生产和消耗。HFO-1234ze（E ）在中等操作条件下分解为C1 C2氢氟烃（HFC）和氢氟烯烃（HFO）。另一方面，在更苛刻的操作条件下，实验观察到了长链HFC和HFO与C3 C5的形成，这些物种可从分解中间体之间的反应中产生。