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In silico prediction and analysis of dielectric constant of ionic liquids
조철웅,윤영상 한국화학공학회 2022 Korean Journal of Chemical Engineering Vol.39 No.6
Ionic liquids (ILs) are a class of chemicals comprising cations and anions whose properties can be controlledby modifying their chemical structure, which enables a wide range of applications. Among the attractive propertiesof ILs, dielectric permittivity provides important information related to material solvation and capacitor characteristics. Because there are several ILs and a need to understand the structural effect on their properties, prediction model(s)should be developed. For this, we employed the linear free-energy relationship (LFER) equation to predict the dielectricconstant of ILs. In the modeling, we used in silico calculated molecular descriptors because the empirically LFERestimated descriptors were limited. The results revealed that the developed model could predict the dielectric constantwith an R2 of 0.882. From the developed model, it was observed that the dielectric constant was more affected by thestructure of cations compared to that of anions. In addition, the H-bonding acidity of the cation and basicity of theanion contributed to the dielectric property of ILs, and the dipolarity/polarizability of cations and anions was alsoimportant in the prediction. The predictive model is expected to be useful for designing IL structures considering thedielectric constant.
White transparent organic light-emitting diodes with high top and bottom color rendering indices
조철웅,문재현,한준한,허진우,신진욱,조동희,이종희,조남성,이정익 한국정보디스플레이학회 2015 Journal of information display Vol.16 No.3
Reported in this work is the fabrication of white transparent organic light-emitting diodes (TOLEDs) with high color rendering indices (CRIs). An architecture in which the green and red emission layers are sandwiched between two blue emissions layers was used. By tuning the thicknesses of the green and red emission layers, CRI and power efficiency values of 90/20.5 and 87/6.8 lm/W were achieved in the bottom and top emissions, respectively. The study results suggest an effective engineering approach for realizing high CRI white TOLED lighting sources.
박하늘,조철웅,최한아,원성욱 한국화학공학회 2017 Korean Journal of Chemical Engineering Vol.34 No.9
This study aim was to optimize the manufacturing conditions polyethylenimine-coated polysulfone/bacterial biomass composite fiber (PEI-PSBF) to remove anionic pollutants from aqueous solution. The contents of biomass, PEI, and glutaraldehyde (GA) were selected as independent variables, and the response was defined as Reactive Yellow 2 (RY2) uptake. The manufacturing conditions were optimized by response surface methodology (RSM) with the full factorial central composite design (CCD). The determined coefficient of determination (R2) value of the reduced quadratic model was 0.9551, and the optimal manufacturing conditions were predicted as 4.145 g of biomass, 1.104 g of PEI and 3.9 μL of GA, at where the predicted RY2 uptake was 543.78mg/g. For validating the RSM-predicted results, the RY2 sorption capacity of the optimized PEI-PSBF was evaluated through isotherm experiments. The experimentally confirmed maximal uptake was comparable to predicted one. From these studies, the manufacturing conditions for PEI-PSBF were well optimized and its sorption capacity was 3.83 times higher than that of the PSBF.