Heat-quench-heat method in adiabatic calorimetry: determining decomposition mechanism model and kinetic evaluation with lower thermal inertia experimental data

Author(s):  
Xiao-Qiao Zhao ◽  
Wen-Qian Wu ◽  
Hua-bo Li ◽  
Wang-Hua Chen ◽  
Zi-Chao Guo ◽  
...  
Molecules ◽  
2021 ◽  
Vol 26 (3) ◽  
pp. 635
Author(s):  
Mohamadreza Shakiba ◽  
Arash Kakoei ◽  
Iman Jafari ◽  
Erfan Rezvani Ghomi ◽  
Mohammadreza Kalaee ◽  
...  

Kinetic modeling and degradation study of liquid polysulfide (LPS)/clay nanocomposite is possible through Ozawa–Flynn–Wall (OFW) and Kissinger methods. Comparing the results of these models with experimental data leads to provide an accurate degradation kinetic evaluation of these materials. To this aim, the morphology and distribution of clay nanoparticles (CNPs) within the LPS matrix were investigated using Field Emission Scanning Electron Microscopy (FESEM) and X-ray diffraction (XRD). To evaluate the interaction between the LPS and the CNPs, the Fourier transform infrared (FTIR) identification was utilized. Furthermore, to investigate the kinetics of degradation, the thermal gravimetric analysis (TGA) and derivative thermogravimetry (DTG) of the samples were used in the nitrogen atmosphere with the help of Kissinger and Ozawa–Flynn–Wall (OFW) models. The characterization results confirmed the homogenous dispersion of the CNPs into the LPS matrix. In addition, the presence of CNPs increased the thermal stability and activation energy (Ea) of the samples at different conversion rates. Moreover, the OFW method was highly consistent with the experimental data and provided an appropriate fit for the degradation kinetics.


2016 ◽  
Vol 27 (3) ◽  
pp. 357-386 ◽  
Author(s):  
Walid Ayadi ◽  
Lucien Laiarinandrasana ◽  
Kacem Saï

In this work, the anisotropic damage of semi-crystalline polymers is investigated. The model, developed within a thermodynamic framework, includes the following features: (i) the degree of crystallinity; (ii) the hydrostatic pressure effect; and (iii) the damage anisotropy. The adopted tensorial damage variable is based on the Continuum Damage Mechanics approach under the energy equivalence assumption. For the quantification of the anisotropy, a parameter called “shape factor” is defined as the ratio between the void mean diameter and the void mean height. This parameter is linked to the main axial and the main radial damage components. Experimental data taken from the recent literature using the tomography technique were selected to assess the model capability. Finite element simulations of notched round bar specimens subjected to tensile test stopped at three key loading stages are systematically compared with experimental data. The proposed model was able not only to accurately simulate the macroscopic response of the material, but more interestingly, to reproduce the spatial distribution of the shape factor. This demonstrates the anisotropy effects of the material under study induced at different stages of the deformation.


Author(s):  
Livia Tardelli ◽  
Benedetta Franzelli ◽  
Pedro Rodrigues ◽  
Nasser Darabiha

Abstract Numerical prediction of soot production in turbulent flames is extremely challenging, as it involves complex physical and chemical processes whose modeling presents today many uncertainties. The modeling of soot growth and oxidation reactions is a key aspect for soot prediction accuracy, as it may greatly contribute to the soot mass yield as numerically observed by Rodrigues et al. [1] in a turbulent non-premixed ethylene-airflame. Surface reactions are commonly described by a HACA-based model that is known to provide good agreement with experimental data in laminar premixed flames, while failing the description of laminar diffusion flames. A modification of the HACA-RC model [2], which is an extended version of the original HACA mechanism [3], is proposed here based on the work of Hwang et al. [4] in order to obtain a soot model that performs reasonably well on both premixed and diffusion laminar flames. To assess its accurary validations are performed on different laminar flames by comparison with available experimental data. Then, the impact of such modification on the prediction of turbulent flames is evaluated by performing two Large Eddy Simulations (LES) of a model gas turbine combustor using the new model and the reference HACA-RC model. The obtained results are compared to the experimental data in terms of soot volume fraction. Discrepancies between the two LES results are finally explained by analyzing the different source terms of soot production.


2012 ◽  
Vol 560-561 ◽  
pp. 333-337
Author(s):  
Zhi Min Ou ◽  
Ren Wei Li

Ethyl (R)-2-hydroxy-4-phenylbutyrate was prepared by enzyme resolution of racemic ethyl- 2-hydroxy-4-phenylbutyrate. The optimal resolution conditions were 0.074 mol/L ethyl-2-hydroxy-4-phenylbutyrate, 20 mg lipase AK in 2.0 ml ethenylethanoate, 30 0C, 100 rpm. Enantiomeric excess of ethyl (R)-2-hydroxy-4-phenylbutyrate was up to 99%. Kinetic resolution model of ethyl- 2-hydroxy-4-phenylbutyrate by lipase AK was described by double substrate ping-pong mechanism. Model data agreed well with experimental data.


Author(s):  
Q. Deng ◽  
R. D. Burke ◽  
Q. Zhang ◽  
Ludek Pohorelsky

Turbochargers are key components of engine air-paths that must be carefully considered during the development process. The combination of fluid, mechanical and thermal phenomenon make the turbocharger a highly dynamic and non-linear modelling challenge. The aim of this study is to quantify the dynamic response of the turbocharger system across a frequency spectrum from 0.003Hz to 500Hz, i.e. for exhaust gas pulsation in steady state, load steps and cold start drive cycles, to validate the assumption of quasi-steady assumptions for particular modelling problems. A waste-gated turbine was modelled using the dual orifice approach, a lumped capacitance heat transfer model and novel, physics-based pneumatic actuator mechanism model. Each sub-model has been validated individually against experimental measurements. The turbine inlet pressure and temperature and the waste-gate actuator pressure were perturbed across the full frequency range both individually and simultaneously in separate numerical investigations. The dynamic responses of turbine housing temperature, turbocharger rotor speed, waste-gate opening, mass flow and gas temperatures/pressures were all investigated. The mass flow parameter exhibits significant dynamic behaviour above 100Hz, illustrating that the quasi-steady assumption is invalid in this frequency range. The waste-gate actuator system showed quasi-steady behaviour below 10Hz, while the mechanical inertia of the turbine attenuated fluctuations in shaft speed for frequencies between 0.1–10Hz. The thermal inertia of the turbocharger housing meant that housing temperature variations were supressed at frequencies above 0.01Hz. The results have been used to illustrate the importance of model parameters for three transient simulation scenarios (cold start, load step and pulsating exhaust flow).


Author(s):  
Hanlin Sheng ◽  
Tianhong Zhang ◽  
Wei Jiang

AbstractIn this paper, an approximate computation method of low-speed component characteristics in aeroengine is used and full-range component characteristics is obtained by combining experimental data above idle. Moreover, based on components matching method and variable specific heat method, a full-range static and dynamic mathematical model of turboshaft engine is built, including start-up state. And the numerical simulation result of the engine whole working process is also showed in this paper. The comparison result between the simulation result and the experimental data shows that, the full-range model built by the computation method of low-speed component characteristics is of a certain accuracy, which can meet the needs of a turboshaft engine semi-physical simulation.


Author(s):  
Q. Deng ◽  
R. D. Burke ◽  
Q. Zhang ◽  
Ludek Pohorelsky

Turbochargers are key components of engine air-paths that must be carefully considered during the development process. The combination of fluid, mechanical, and thermal phenomenon make the turbocharger a highly dynamic and nonlinear modeling challenge. The aim of this study is to quantify the dynamic response of the turbocharger system across a frequency spectrum from 0.003 Hz to 500 Hz, i.e., for exhaust gas pulsation in steady state, load steps, and cold start drive cycles, to validate the assumption of quasi-steady assumptions for particular modeling problems. A waste-gated turbine was modeled using the dual orifice approach, a lumped capacitance heat transfer model, and novel, physics-based pneumatic actuator mechanism model. Each submodel has been validated individually against the experimental measurements. The turbine inlet pressure and temperature and the waste-gate actuator pressure were perturbed across the full frequency range both individually and simultaneously in separate numerical investigations. The dynamic responses of turbine housing temperature, turbocharger rotor speed, waste-gate opening, mass flow, and gas temperatures/pressures were all investigated. The mass flow parameter exhibits significant dynamic behavior above 100 Hz, illustrating that the quasi-steady assumption is invalid in this frequency range. The waste-gate actuator system showed quasi-steady behavior below 10 Hz, while the mechanical inertia of the turbine attenuated fluctuations in shaft speed for frequencies between 0.1 and 10 Hz. The thermal inertia of the turbocharger housing meant that housing temperature variations were supressed at frequencies above 0.01 Hz. The results have been used to illustrate the importance of model parameters for three transient simulation scenarios (cold start, load step, and pulsating exhaust flow).


1989 ◽  
Vol 44 (9) ◽  
pp. 811-813 ◽  
Author(s):  
S. K. Bhattacharya ◽  
M. H. Thiemens

Abstract In a recent study, it was demonstrated that the mechanism associated with the O + CO reaction produces a large, mass independent isotopic fractionation in the product CO2. A kinetic treatment of the data demonstrated that isotopic exchange between the O atom, produced by O2 photolysis and CO, occurred prior to the O + CO recombination. It was concluded that the likely source of the mass independent fractionation was the O + CO recombination. The present paper includes a kinetic evaluation of the added role of O + O2, along with O + CO, isotopic exchange. The new determinations provide a better fit of the experimental data.


Author(s):  
A. Gómez ◽  
P. Schabes-Retchkiman ◽  
M. José-Yacamán ◽  
T. Ocaña

The splitting effect that is observed in microdiffraction pat-terns of small metallic particles in the size range 50-500 Å can be understood using the dynamical theory of electron diffraction for the case of a crystal containing a finite wedge. For the experimental data we refer to part I of this work in these proceedings.


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