Planarization mechanism of alkaline copper CMP slurry based on chemical mechanical kinetics

The planarization mechanism of alkaline copper slurry is studied in the chemical mechanical polishing （CMP） process from the perspective of chemical mechanical kinetics.Different from the international dominant acidic copper slurry,the copper slurry used in this research adopted the way of alkaline technology based on complexation. According to the passivation property of copper in alkaline conditions,the protection of copper film at the concave position on a copper pattern wafer surface can be achieved without the corrosion inhibitors such as benzotriazole（BTA）,by which the problems caused by BTA can be avoided.Through the experiments and theories research,the chemical mechanical kinetics theory of copper removal in alkaline CMP conditions was proposed. Based on the chemical mechanical kinetics theory,the planarization mechanism of alkaline copper slurry was established. In alkaline CMP conditions,the complexation reaction between chelating agent and copper ions needs to break through the reaction barrier.The kinetic energy at the concave position should be lower than the complexation reaction barrier,which is the key to achieve planarization.

An integrated model for predicting the flame propagation in crimped ribbon flame arresters

Crimped ribbon flame arresters are important safety devices in the chemical industry, especially for the danger- ous situations. Although proper design of arresters by the numerical simulation method is promising, its reliabil- ity and accuracy are dependent upon the mathematical model. In this work, an integrated mathematical model for the microchannel in the crimped ribbon flame attesters was set up; the fluid flow behavior and the sensitiv- ities of four chemical kinetics mechanisms of propane-air on the accuracy were analysed. It is shown that turbu- lence is predominant in the microchannel of the crimped ribbon flame arresters under the defiagration and detonation conditions, and a new quenching criterion for the numerical simulation is proposed. The kinetics mechanism of Mansouri et al. among the four ones is the most accurate due to the best agreement of the pre- dicted outlet temperature at the experimental flameproof velocity with the autoignition temperature of propane-air. The species mass fraction profiles and the temperature distribution, which are too difficult to mea- sure due to the tiny dimension of the microchannel in experiments, are captured. The fundamental insights into chemical reactions and heat loss are well portrayed. It can be concluded that the integrated mathematical model established in this work can be used as a reliable tool for modeling, selecting and designing such type of crimped ribbon flame attesters with the propane-air medium in the future.

Mechanism and kinetics study on the ozonolysis reaction of 2,3,7,8-TCDD in the atmosphere

The ozonolysis of 2,3,7,8-tetra-chlorodibenzo-p-dioxin （2,3,7,8-TCDD） is an efficient degradation way in the atmosphere. The ozonolysis process and possible reactions path of Criegee Intermediates with NO and H2O are introduced in detail at the method of MPWB1K/6-31＋G（d,p）//MPWB1K/6- 311＋G（3df,2p） level. In ozonolysis, H2O is an important source of OH radical formation and initiated the subsequent degradation reaction. The Rice-Ramsperger-Kassel-Marcus （RRKM） theory was applied to calculate rate constants with the temperature ranging from 200 to 600 K. The rate constant of reaction between 2,3,7,8-TCDD and 03 is 4.80 × 10^-20 cm3/（mole.sec） at 298 K and 760 Tort. The atmospheric lifetime of the reaction species was estimated according to rate constants, which is helpful for the atmospheric model study on the degradation and risk assessment of dioxin.

A lower flammability limit prediction model of alkane-CO2 mixtures based on flame phenomenon simulation

In the present study, a novel model is proposed to evaluate the lower flammability limit(LFL) of alkane diluted with CO2. The LFL model is based on flame phenomenon simulation(FS-LFL). The model consists of combustion, turbulence, and igniter models, which are used to characterise the combustion based on the chemical kinetics and CFD, which is not feasible with traditional methods. The flame simulation phenomenon was validated by contrast with experiment and same criterion of flammability limit in the experiment was adopted. The FS-LFL model was used to predict the LFLs of a propane-CO2 mixture and propane at various temperatures. The model performance was analysed by comparing the results with experimental data and predictions obtained from existing methods. The AARDs between the predicted and experimentally determined LFLs of the propane-CO2 mixture are 0.34%, 1.19%, and 1.35% at 30℃, 50℃, and 70℃, respectively. The model also has a good predictive power with respect to the LFLs of propane at initial temperatures ranging from 30℃–300℃, with an AARD of 2.10%. When the dilution of CO2 is 90%, the model yields a better result due to the utilisation of the chemical kinetics mechanism. This result is instructive for the use of this method in the prediction of upper flammability limits.