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The structures and electronic properties of monolayer arsenene doped with Al, B, S and Si have been investigated based on first-principles calculation. The dopants have great influences on the properties of the monolayer arsenene. The electronic properties of the substrate are effectively tuned by substitutional doping. After doping, NO adsorbed on four kinds of substrates were investigated. The results demonstrate that NO exhibits a chemisorption character on Al-, B- and Si-doped arsenene while a physisorption character on S-doped arsenene with moderate adsorption energy. Due to the adsorption of NO, the band structures of the four systems have great changes. It reduces the energy gap of Al- and B-doped arsenene and opens the energy gap of S- and Si-doped arsenene. The large charge depletion between the NO molecule and the dopant demonstrates that there is a strong hybridization of orbitals at the surface of the doped substrate because of the formation of a covalent bond, except for S-doped arsenene. It indicates that Al-, B- and Si-doped arsenene might be good candidates as gas sensors to detect NO gas molecules owning to their high sensitivity.
Keliang Wang; Jing Li; Yu Huang; Minglei Lian; Dingmei Chen. Adsorption of NO Gas Molecules on Monolayer Arsenene Doped with Al, B, S and Si: A First-Principles Study. Processes 2019, 7, 538 .
AMA StyleKeliang Wang, Jing Li, Yu Huang, Minglei Lian, Dingmei Chen. Adsorption of NO Gas Molecules on Monolayer Arsenene Doped with Al, B, S and Si: A First-Principles Study. Processes. 2019; 7 (8):538.
Chicago/Turabian StyleKeliang Wang; Jing Li; Yu Huang; Minglei Lian; Dingmei Chen. 2019. "Adsorption of NO Gas Molecules on Monolayer Arsenene Doped with Al, B, S and Si: A First-Principles Study." Processes 7, no. 8: 538.
The separation of aqueous acetonitrile solution by pressure swing distillation (PSD) was simulated and optimized through Aspen Plus software. The distillation sequence of the low pressure column (LPC) and high pressure column (HPC) was determined with a phase diagram. The pressures of the two columns were set to 1 and 4 atm, respectively. Total annual cost (TAC) was considered as the objective function, and design variables, such as the tray number, the reflux ratio, and the feeding position, were optimized. The optimum process parameters were obtained. For the reduction of energy consumption, the PSD with full-heat integration was designed. The TAC of this method is lower by 32.39% of that of the PSD without heat integration. Therefore, it is more economical to separate acetonitrile and water mixture by PSD with full-heat integration, which provides technical support for the separation design of such azeotropes.
Jing Li; Keliang Wang; Minglei Lian; Zhi Li; Tingzhao Du. Process Simulation of the Separation of Aqueous Acetonitrile Solution by Pressure Swing Distillation. Processes 2019, 7, 409 .
AMA StyleJing Li, Keliang Wang, Minglei Lian, Zhi Li, Tingzhao Du. Process Simulation of the Separation of Aqueous Acetonitrile Solution by Pressure Swing Distillation. Processes. 2019; 7 (7):409.
Chicago/Turabian StyleJing Li; Keliang Wang; Minglei Lian; Zhi Li; Tingzhao Du. 2019. "Process Simulation of the Separation of Aqueous Acetonitrile Solution by Pressure Swing Distillation." Processes 7, no. 7: 409.
Pressure swing distillation (PSD) process was used to separate methyl acetate‐methanol azeotrope. Through the phase diagram analysis, distillation sequence and technological process were determined. On the basis of the principle of the minimum total annual cost (TAC), design variables such as feeding position, reflux ratio, and column plate number were optimized and the optimal parameters were determined. The high‐pressure column (HPC) under various pressures were analysed. The economic results of the PSD without heat integration, with partial heat integration, and with full heat integration were compared. The comparison results indicate that the TAC of the PSD without heat integration is the highest. The PSD with partial integration and full heat integration can effectively reduce the total capital cost and total operating cost. Compared with the PSD without heat integration, the TACs of partial heat integration and full heat integration exhibit 27% and 30% savings, respectively. Therefore, the PSD with full heat integration is more economically reasonable for separating methyl acetate‐methanol azeotrope.
Keliang Wang; Jing Li; Ping Liu; Minglei Lian; Tingzhao Du. Pressure swing distillation for the separation of methyl acetate‐methanol azeotrope. Asia-Pacific Journal of Chemical Engineering 2019, 14, e2319 .
AMA StyleKeliang Wang, Jing Li, Ping Liu, Minglei Lian, Tingzhao Du. Pressure swing distillation for the separation of methyl acetate‐methanol azeotrope. Asia-Pacific Journal of Chemical Engineering. 2019; 14 (3):e2319.
Chicago/Turabian StyleKeliang Wang; Jing Li; Ping Liu; Minglei Lian; Tingzhao Du. 2019. "Pressure swing distillation for the separation of methyl acetate‐methanol azeotrope." Asia-Pacific Journal of Chemical Engineering 14, no. 3: e2319.
The purpose of this paper is to study the working fluids in absorption cycle containing methanol (CH3OH) as the refrigerant and the imidazolium ionic liquid (IL) as the absorbent. The UNIFAC model was implemented to correlate the published experimental vapor liquid equilibrium data of CH3OH–IL working fluids and 14 new group interaction parameters between CH3OH and ILs were obtained. Method reliability and applicability were evaluated by calculating the vapor pressures of five CH3OH–IL working fluids. The ILs contained 1‐methyl‐3‐methylimidazolium dimethylphosphate ([Dmim][DMP]), 1‐ethyl‐3‐methylimidazolium ethyl sulfate ([Emim][ES]), 1‐ethyl‐3‐methylimidazolium diethylphosphate ([Emim][DEP]), 1‐butyl‐3‐methylimidazolium dibutylphosphate ([Bmim][DBP]), and 1‐ethyl‐3‐ethylimidazolium diethylphosphate ([Eeim][DEP]). The average absolute relative deviations for the vapor pressures between the calculated results and the experimental data were 0.91%, 1.67%, 0.66%, 0.75%, and 2.1%, respectively. Then, the CH3OH–IL systems without experimental data were predicted. Comparisons of the vapor pressure and excess Gibbs function of the studied CH3OH–IL systems, CH3OH‐[Hmim][DEP] (1‐hexyl‐3‐methylimidazolium diethylphosphate) system, as an alternative working fluid, was found to have potential to improve the absorption cycle performance upon more research work.
Jing Li; Keliang Wang; Minglei Lian; Zhi Li. Vapor liquid equilibrium prediction of methanol–ionic liquid systems using UNIFAC model to select alternative working fluids of absorption cycle. Asia-Pacific Journal of Chemical Engineering 2018, 14, e2281 .
AMA StyleJing Li, Keliang Wang, Minglei Lian, Zhi Li. Vapor liquid equilibrium prediction of methanol–ionic liquid systems using UNIFAC model to select alternative working fluids of absorption cycle. Asia-Pacific Journal of Chemical Engineering. 2018; 14 (1):e2281.
Chicago/Turabian StyleJing Li; Keliang Wang; Minglei Lian; Zhi Li. 2018. "Vapor liquid equilibrium prediction of methanol–ionic liquid systems using UNIFAC model to select alternative working fluids of absorption cycle." Asia-Pacific Journal of Chemical Engineering 14, no. 1: e2281.