Predictions of equilibrium solubility and mass transfer coefficient for CO_(2) absorption into aqueous solutions of 4-diethylamino-2-butanol using artificial neural networks

In the present work,artificial neuron network(ANN)based models for predicting equilibrium solubility and mass transfer coefficient of CO_(2) absorption into aqueous solutions of high performance alternative 4-diethylamino-2-butanol(DEAB)solvent were successfully developed.The ANN models show an outstanding predictive performance over the predictive correlations proposed in the literature.In order to predict the equilibrium solubility,the ANN model were developed based on three input parameters of operating temperature,concentration of DEAB and partial pressure of CO_(2).An outstanding prediction performance of 2.4%average absolute deviation(AAD)can be obtained(comparing with 7.1–8.3%AAD from the literature).Additionally,a significant improvement on predicting mass transfer coefficient can also be achieved through the developed ANN model with 3.1%AAD(comparing with 14.5%AAD from the existing semi-empirical model).The mass transfer coefficient is considered to be a function of liquid flow rate,liquid inlet temperature,concentration of DEAB,inlet CO_(2) loading,outlet CO_(2) loading,concentration of CO_(2) along the height of the column.

Syntheses,Crystal Structures and Theoretical Studies of Three Novel Salts of Vortioxetine and the Investigation of Their Solubility

Three new vortioxexine （VOT） salts with salicylic acid （SA）, 5-fluorouracil （FU） and （p-nitrophenyl）-acetic acid （PA） have been synthesized and characterized in detail. In VOT-SA（1：1）, the protonated VOT and deprotonated salicylic anion form a tetrameric unit with the R4 4（12） synthon via N（1）–H（1）…O（1）^a （a： x–1, y, z） and N（1）–H（2）…O（2）^b （b： –x, –y, –z＋1） hydrogen bonds. However, in VOT–FU（1：2）, the protonated VOT and deprotonated 5-fluorouracil anion feature an R4 4（16） ring motif via N（1）–H（1）…O（2）^c （c： –x＋1, –y＋1, –z＋1） and N（1）– H（2）…O（1）^d （d： x, y–1, z） hydrogen bonds. The neutral FU extends the R4 4（16） ring to form a two-dimensional structure through R2 2（8） N–H…O and N（6）–H（4）…N（4）……e （e： –x＋1, y–1/2, –z＋1/2） hydrogen bonds. In VOT-PA（1：1）, PA molecules are linked through N（1）–H（1）…O（1）f （f： –x＋1, y＋1/2, –z＋1） and N（1）–H（2）…O（2）, which forms a right-handed helical structure. Furthermore, components of the crystalline phase have also been investigated in terms of their corresponding Hirshfeld surface, and the salification improves the equilibrium solubilities and dissolution rates of VOT in three salts at 25 ℃ in water.

Studies on Stability of a Novel Cathode Material for MCFC

The stability of NiO and oxidized nickel niobium surface alloy electrode under various molten carbonate fuel cell(MCFC) cathode conditions were investigated by determination of equilibrium solubility of nickel ions in the carbonate melt of the two electrode materials.It is found that under MCFC cathode conditions the stability of NiO electrode is improved significantly by the deposition of niobium.As far as stability is concerned,oxidized nickel niobium alloy electrode can be considered as a candidate for cathode material of MCFC.

Solid-liquid Equilibria for the Quaternary NaCl–Na_2SO_4–Na_2B_4O_7–H_2O System at 348 K

1 Introduction China has very abundant liquid mineral resources.Especially,the brine resources in the west of Sichuan Basin are pushed into the first place in China,whose K and B contents are unusually high.These rare liquid mineral resources have very good exploitation prospect(Lin,2001;2006).Generally speaking,phase equilibrium