The flash points of organic compounds were estimated using a hybrid method that includes a simple group contribution method (GCM) implemented in an artificial neural network (ANN) with particle swarm optimization (PSO...The flash points of organic compounds were estimated using a hybrid method that includes a simple group contribution method (GCM) implemented in an artificial neural network (ANN) with particle swarm optimization (PSO). Different topologies of a multilayer neural network were studied and the optimum architecture was determined. Property data of 350 compounds were used for training the network. To discriminate different substances the molecular structures defined by the concept of the classical group contribution method were given as input variables. The capabilities of the network were tested with 155 substances not considered in the training step. The study shows that the proposed GCM+ANN+PSO method represent an excellent alternative for the estimation of flash points of organic compounds with acceptable accuracy (AARD = 1.8%; AAE = 6.2 K).展开更多
Achieving efficient thermal management urges to exploit high-thermal-conductivity materials to satisfy the boosted demand of heat dissipation.It is critical to adopt standardized characterization protocols to evaluate...Achieving efficient thermal management urges to exploit high-thermal-conductivity materials to satisfy the boosted demand of heat dissipation.It is critical to adopt standardized characterization protocols to evaluate the intrinsic thermal conductivity of thermal management materials.However,for the most representative laser flash method,the lack of standard measurement methodology and systematic description on the thermal diffusivity and influencing factors has led to significant deviations and confusion of the thermal conduction performance in the emerging thermal management application.Here,the measurement error factors of thermal diffusivity by the common laser flash analyzer(LFA)are discussed.Taking high-thermal-conductivity graphitic film(GF)as a typical case,the key factors are analyzed to guide the measurement protocol of related carbon-based thermal management materials.The basic principle of the LFA measurement,actual pre-processing conditions,instrument parameters setting,and data analysis are elaborated for accurate measurements.Furthermore,the graphene thick films and common isotropic materials are also extended to meet various thermal measurement requirements.Based on the existing practical problems,we propose a feasible test flow to achieve a unified and standardized thermal conductivity measurement,which is beneficial to the rapid development of carbon-based thermal management materials.展开更多
文摘The flash points of organic compounds were estimated using a hybrid method that includes a simple group contribution method (GCM) implemented in an artificial neural network (ANN) with particle swarm optimization (PSO). Different topologies of a multilayer neural network were studied and the optimum architecture was determined. Property data of 350 compounds were used for training the network. To discriminate different substances the molecular structures defined by the concept of the classical group contribution method were given as input variables. The capabilities of the network were tested with 155 substances not considered in the training step. The study shows that the proposed GCM+ANN+PSO method represent an excellent alternative for the estimation of flash points of organic compounds with acceptable accuracy (AARD = 1.8%; AAE = 6.2 K).
基金supported by the National Natural Science Foundation of China(Nos.52272046,52090030,52090031,52122301,51973191)the Natural Science Foundation of Zhejiang Province(LR23E020003)+4 种基金Shanxi-Zheda Institute of New Materials and Chemical Engineering(2021SZ-FR004,2022SZ-TD011,2022SZ-TD012,2022SZ-TD014)Hundred Talents Program of Zhejiang University(188020*194231701/113,112300+1944223R3/003,112300+1944223R3/004)the Fundamental Research Funds for the Central Universities(Nos.226-2023-00023,226-2023-00082,2021FZZX001-17,K20200060)National Key R&D Program of China(NO.2022YFA1205300,NO.2022YFA1205301,NO.2020YFF0204400,NO.2022YFF0609801)"Pioneer"and"Leading Goose"R&D Program of Zhejiang 2023C01190。
文摘Achieving efficient thermal management urges to exploit high-thermal-conductivity materials to satisfy the boosted demand of heat dissipation.It is critical to adopt standardized characterization protocols to evaluate the intrinsic thermal conductivity of thermal management materials.However,for the most representative laser flash method,the lack of standard measurement methodology and systematic description on the thermal diffusivity and influencing factors has led to significant deviations and confusion of the thermal conduction performance in the emerging thermal management application.Here,the measurement error factors of thermal diffusivity by the common laser flash analyzer(LFA)are discussed.Taking high-thermal-conductivity graphitic film(GF)as a typical case,the key factors are analyzed to guide the measurement protocol of related carbon-based thermal management materials.The basic principle of the LFA measurement,actual pre-processing conditions,instrument parameters setting,and data analysis are elaborated for accurate measurements.Furthermore,the graphene thick films and common isotropic materials are also extended to meet various thermal measurement requirements.Based on the existing practical problems,we propose a feasible test flow to achieve a unified and standardized thermal conductivity measurement,which is beneficial to the rapid development of carbon-based thermal management materials.
