Jun Wang,Deyan Wang,Chunxiang Huang,Xueni Sun,Xiaoyong Yue,Hui Shao,Yixin Leng
Isobaric vapour–liquid equilibrium (VLE) data for two binary systems of p-Cresol (PC) + diethanolamine (DEA) and m-Cresol (MC) + DEA were measured at 20.0 kPa. The Herington area method was used to check the binary VLE data, and the results showed good thermodynamic consistency. Meanwhile, the Wilson, NRTL, UNIQUAC models and the chemistry theory proposed by Dolezalek were used to correlate the VLE data. The binary energy interaction parameters for activity models, and reaction equilibrium constants for chemistry theory were obtained. With help of the parameters obtained in this work, the NRTL model was used to predict the VLE data of the two binary systems at the pressure of 8.33 kPa. The predictive results were compared with the literature’s data. At same time, the excess Gibbs free energy for the two binary systems, and infinite dilution activity coefficients for MC and PC in DEA were estimated. The calculated results showed that the DEA had slightly stronger interaction with PC than MC.
Luxi Zou,Yan Wang,Chou Huang,Bingbing Li,Jinze Lyu,Shuo Wang,Hui Lu,Ji Li
The kinetic and pathway of meta-cresol (m-cresol) degradation were studied by persulfate oxidation through UV/ozone activation (UV/O 3 –Na 2 S 2 O 8 ) to improve m-cresol removal to eliminate ecological risks. Experimental results showed that the degradation effect of m-cresol with an initial concentration of 50 mg/L was 99.8% in 30 min under the optimization conditions. The reaction kinetic model in the UV/O 3 –Na 2 S 2 O 8 system shows that the initial pH value, the respective ozone, and the persulfate dosage were positively correlated with the degradation rate constant value ( k ). The apparent degradation rate of m-cresol in the UV/O 3 –Na 2 S 2 O 8 system was 0.2216 min −1 , and the synergy factor ( f ) was larger than 1, thereby demonstrating a synergistic effect of UV, ozone, and persulfate. The dominant free radicals in the system were sulfate radical (SO- 4·) and hydroxyl radical (·OH), and the contribution ratio of SO- 4· to m-cresol degradation was higher than ·OH. The degradation process of m-cresol by UV/O 3 − Na 2 S 2 O 8 was mainly through the electrophilic addition reaction to substitute the ortho- and para-positions of the hydroxyl group on the benzene ring, followed by the ring-opening reaction and mineralization of the aliphatic compound to achieve the complete degradation of m-cresol.
A series of rutile TiO2-supported Ni catalysts with varying Ni sizes were prepared and reduced at 650 °C to explore the effect of Ni size on the strong metal–support interactions (SMSI) and its consequences on the hydrodeoxygenation (HDO) of m-cresol at 350 °C and atmospheric pressure. When the Ni size increases from 4 to 29.1 nm, the SMSI becomes stronger, e.g., the thickness of the TiOxoverlayer and the coverage extent of TiOxon the Ni particle surface increase. Direct deoxygenation to toluene is the dominant pathway on Ni/TiO2catalysts with varying Ni loadings, with almost no CH4being formed. These results indicate that the TiOxoverlayer significantly alters the property of Ni. That is, the C-C hydrogenolysis activity on bare Ni is completely inhibited due to SMSI, while the deoxygenation activity is improved at the Ni-TiOxinterfacial perimeter sites. Meanwhile, the turnover frequency of HDO on small Ni particles of 4 nm is > 2 times higher than that on large Ni particles of 29.1 nm, indicating that the small Ni particle with moderate SMSI appears to be optimal for the direct deoxygenation of m-cresol to toluene. The results suggest HDO activity may be enhanced by tuning the metal particle size and SMSI degree.Keywords:Ni/TiO2;rutile;strong metal-support interactions;m-cresol;hydrodeoxygenation
Jun Wang,Jie Ou,Xueni Sun,Xiangjun Tong,Ben Gao,Chunxiang Huang,Hui Shao,Yixin Leng
Measurements of isobaric vapor–liquid equilibrium (VLE) results for binary systems of m-cresol (MC) + diisopropanolamine (DIPA) and 2,6-dimethylphenol (DMP) + DIPA and the ternary system of MC + DMP + DIPA were conducted at the pressure of 20.0 kPa. The binary VLE experimental data showed that DIPA had stronger interaction with MC than DMP. The ternary system experimental VLE data showed that DIPA could improve the relative volatility of DMP to MC. The binary experimental data were checked by using Herington area and point test methods, and the checked results were thermodynamically consistent. Meanwhile, the VLE data were correlated by Wilson, nonrandom two-liquid, and universal quasichemical models, and the binary energy interaction parameters for these models were obtained. These activity coefficient models were used to predict the ternary system VLE data. The predictive results suggested that the Wilson model had the best prediction.
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