The Experts below are selected from a list of 318 Experts worldwide ranked by ideXlab platform
Kewen Tang - One of the best experts on this subject based on the ideXlab platform.
-
Process optimization of chiral Extraction of 2,3-diphenylpropionic acid by experiment and simulation
Process Biochemistry, 2019Co-Authors: Wanru Wang, Panliang Zhang, Guilin Dai, Kewen TangAbstract:Abstract This paper reports the process optimization of chiral Extraction of 2,3-diphenylpropionic acid (2,3-2-PPA) enantiomers by experiment and simulation in centrifugal contactor separators. An efficient Extraction system was obtained firstly through single-Stage Extraction experiments and single-Stage Extraction model, where sulfobutylether-β-cyclodextrin (SBE-β-CD) and 1,2-dichlorethane were selected as the optimal extractant and organic solvent, respectively. The mechanism of the Extraction system was proposed and the thermodynamic constants such as physical partition coefficient and reactive equilibrium constants were obtained. Based on phase and reactive equilibrium as well as the law of mass conservation, a model describing the fractional Extraction process was acquired. The process of symmetrical separation of 2,3-2-PPA enantiomers was optimized by the fractional Extraction model. The optimal conditions composed of flow rate ratio (W/O) of 3.0, pH of 3.00 and SBE-β-CD concentration of 0.10 mol/L were obtained. Under this case, equal enantiomeric excess (eeeq) can reach up to 37% at 10 Stages. The simulated results reveal that the minimum series for eeeq > 97% and eeeq > 99% was 78 and 102, respectively.
-
Experiments and simulation on Extraction of esmolol enantiomers from single Stage to multiStage
Separation and Purification Technology, 2018Co-Authors: Weifeng Xu, Panliang Zhang, Shichuan Wang, Wanru Wang, Kewen TangAbstract:Abstract Enantioselective Extraction of esmolol (ES) enantiomers was performed with tartaric acid derivatives and boric acid (BA) as chiral extractant. The single–Stage Extraction experiments were carried out to construct the Extraction system for ES enantiomers through investigating type of tartaric acid derivatives, type of the organic solvent and temperature. The optimal conditions for Extraction system were achieved, which involves 1,2–dichloroethane as organic solvent, iso–butyl–D–tartrate (DT) as chiral selector and 278 K for Extraction temperature. A single–Stage Extraction model was established based on an interfacial reaction mechanism and proved to be reliable by verified experiments. Based on the single–Stage Extraction model and the law of mass conservation, a fractional Extraction model was explored to simulate and optimize the fractional Extraction process. The optimal operation conditions at temperature of 278 K were obtained including ES concentration of 0.01 mol/L, DT and BA concentrations of 0.1 mol/L, F/W of 0.25 and O/W of 1.0347, feeding in the middle Stage at pH of 5.50. The ee eq of 0.98 and Y eq of 0.99 can be achieved by symmetric separation with the number of Stages of 32 under the optimal conditions. As S–ES is the desired product, 10 Stages are enough to obtain 0.98 of ee raffinate for S–ES by asymmetric separation under the conditions containing ES concentration of 0.01 mol/L, DT and BA concentrations of 0.1 mol/L, F/W of 0.25 and O/W of 1.64, feeding in the Stage 2 at pH of 5.50.
-
Modeling multiple chemical equilibrium in chiral Extraction of metoprolol enantiomers from single-Stage Extraction to fractional Extraction
Chemical Engineering Science, 2018Co-Authors: Panliang Zhang, Shichuan Wang, Kewen Tang, Yun-ren QiuAbstract:Abstract Enantioselective Extraction of metoprolol (MT) enantiomers with di-cyclohexyl (D)-tartrate (DT) and boric acid (BA) as chiral extractant was performed. The process involving multiple chemical equilibrium is very complicated and the process optimization is difficult. On the basis of an interfacial reaction mechanism, a single-Stage Extraction model was established. The operation conditions of pH and DT to BA ratio were obtained through simulation and optimization of the equilibrium of the two phase Extraction system. Based on the single-Stage Extraction model and the law of mass conservation, a fractional Extraction model was established to simulate and optimize the fractional Extraction process. To pursue a high productivity and reduce the required Stages, a high feed to aqueous phase ratio (F/W = 1) and an asymmetric separation mode were applied. By asymmetric separation where the optical purity of the product in extract phase and raffiniate phase is not equal, enantiomeric excess ( ee ) value for the eutomer of MT can reach up to 98.64% and yield can reach up to 64.68% with 20 Extraction Stages.
-
Experiments and simulation on Extraction of esmolol enantiomers from single Stage to multiStage
Separation and Purification Technology, 2018Co-Authors: Shichuan Wang, Panliang Zhang, Wanru Wang, Kewen TangAbstract:Abstract Enantioselective Extraction of esmolol (ES) enantiomers was performed with tartaric acid derivatives and boric acid (BA) as chiral extractant. The single–Stage Extraction experiments were carried out to construct the Extraction system for ES enantiomers through investigating type of tartaric acid derivatives, type of the organic solvent and temperature. The optimal conditions for Extraction system were achieved, which involves 1,2–dichloroethane as organic solvent, iso–butyl–D–tartrate (DT) as chiral selector and 278 K for Extraction temperature. A single–Stage Extraction model was established based on an interfacial reaction mechanism and proved to be reliable by verified experiments. Based on the single–Stage Extraction model and the law of mass conservation, a fractional Extraction model was explored to simulate and optimize the fractional Extraction process. The optimal operation conditions at temperature of 278 K were obtained including ES concentration of 0.01 mol/L, DT and BA concentrations of 0.1 mol/L, F/W of 0.25 and O/W of 1.0347, feeding in the middle Stage at pH of 5.50. The ee eq of 0.98 and Y eq of 0.99 can be achieved by symmetric separation with the number of Stages of 32 under the optimal conditions. As S–ES is the desired product, 10 Stages are enough to obtain 0.98 of ee raffinate for S–ES by asymmetric separation under the conditions containing ES concentration of 0.01 mol/L, DT and BA concentrations of 0.1 mol/L, F/W of 0.25 and O/W of 1.64, feeding in the Stage 2 at pH of 5.50.
-
Process optimization of reactive Extraction of clorprenaline enantiomers by experiment and simulation
Chemical Engineering and Processing - Process Intensification, 2018Co-Authors: Wanru Wang, Panliang Zhang, Guilin Dai, Kewen TangAbstract:Abstract This paper studied the process optimization of reactive Extraction of clorprenaline enantiomers (CP) by experiment and simulation. An efficient Extraction system was obtained through single Stage Extraction experiments, where boric acid (BA) in aqueous phase and D -isobutyl tartrate (DT) in organic phase were selected as extractant and 1,2-dichlorethane was selected as organic solvent. The best enantioselectivity (α) with 2.012 was obtained. The Extraction mechanism was proposed and thermodynamic constants such as physical partition coefficient and reactive equilibrium constants were obtained. Based on single Stage Extraction, phase and reactive equilibrium as well as the law of mass conservation, a model describing the fractional Extraction process was acquired. The process of symmetrical separation of CP was optimized by the model. The optimal conditions including flow rate ratio (O/W) of 1.5, pH of 5.0, CH3COONa/CH3COOH solution of 0.1 mol/L, clorprenaline concentration of 5 mmol/L, BA concentration of 0.10 mol/L and DT concentration of 0.075 mol/L were obtained. Under this case, equal enantiomeric excess (eeeq) could reach up to 67% by 10 Stages. The simulated results revealed that the minimum series for eeeq > 97% and eeeq > 99% were 26 and 33, respectively. The results will provide guides for scale up and design.
Panliang Zhang - One of the best experts on this subject based on the ideXlab platform.
-
Process optimization of chiral Extraction of 2,3-diphenylpropionic acid by experiment and simulation
Process Biochemistry, 2019Co-Authors: Wanru Wang, Panliang Zhang, Guilin Dai, Kewen TangAbstract:Abstract This paper reports the process optimization of chiral Extraction of 2,3-diphenylpropionic acid (2,3-2-PPA) enantiomers by experiment and simulation in centrifugal contactor separators. An efficient Extraction system was obtained firstly through single-Stage Extraction experiments and single-Stage Extraction model, where sulfobutylether-β-cyclodextrin (SBE-β-CD) and 1,2-dichlorethane were selected as the optimal extractant and organic solvent, respectively. The mechanism of the Extraction system was proposed and the thermodynamic constants such as physical partition coefficient and reactive equilibrium constants were obtained. Based on phase and reactive equilibrium as well as the law of mass conservation, a model describing the fractional Extraction process was acquired. The process of symmetrical separation of 2,3-2-PPA enantiomers was optimized by the fractional Extraction model. The optimal conditions composed of flow rate ratio (W/O) of 3.0, pH of 3.00 and SBE-β-CD concentration of 0.10 mol/L were obtained. Under this case, equal enantiomeric excess (eeeq) can reach up to 37% at 10 Stages. The simulated results reveal that the minimum series for eeeq > 97% and eeeq > 99% was 78 and 102, respectively.
-
Experiments and simulation on Extraction of esmolol enantiomers from single Stage to multiStage
Separation and Purification Technology, 2018Co-Authors: Weifeng Xu, Panliang Zhang, Shichuan Wang, Wanru Wang, Kewen TangAbstract:Abstract Enantioselective Extraction of esmolol (ES) enantiomers was performed with tartaric acid derivatives and boric acid (BA) as chiral extractant. The single–Stage Extraction experiments were carried out to construct the Extraction system for ES enantiomers through investigating type of tartaric acid derivatives, type of the organic solvent and temperature. The optimal conditions for Extraction system were achieved, which involves 1,2–dichloroethane as organic solvent, iso–butyl–D–tartrate (DT) as chiral selector and 278 K for Extraction temperature. A single–Stage Extraction model was established based on an interfacial reaction mechanism and proved to be reliable by verified experiments. Based on the single–Stage Extraction model and the law of mass conservation, a fractional Extraction model was explored to simulate and optimize the fractional Extraction process. The optimal operation conditions at temperature of 278 K were obtained including ES concentration of 0.01 mol/L, DT and BA concentrations of 0.1 mol/L, F/W of 0.25 and O/W of 1.0347, feeding in the middle Stage at pH of 5.50. The ee eq of 0.98 and Y eq of 0.99 can be achieved by symmetric separation with the number of Stages of 32 under the optimal conditions. As S–ES is the desired product, 10 Stages are enough to obtain 0.98 of ee raffinate for S–ES by asymmetric separation under the conditions containing ES concentration of 0.01 mol/L, DT and BA concentrations of 0.1 mol/L, F/W of 0.25 and O/W of 1.64, feeding in the Stage 2 at pH of 5.50.
-
Modeling multiple chemical equilibrium in chiral Extraction of metoprolol enantiomers from single-Stage Extraction to fractional Extraction
Chemical Engineering Science, 2018Co-Authors: Panliang Zhang, Shichuan Wang, Kewen Tang, Yun-ren QiuAbstract:Abstract Enantioselective Extraction of metoprolol (MT) enantiomers with di-cyclohexyl (D)-tartrate (DT) and boric acid (BA) as chiral extractant was performed. The process involving multiple chemical equilibrium is very complicated and the process optimization is difficult. On the basis of an interfacial reaction mechanism, a single-Stage Extraction model was established. The operation conditions of pH and DT to BA ratio were obtained through simulation and optimization of the equilibrium of the two phase Extraction system. Based on the single-Stage Extraction model and the law of mass conservation, a fractional Extraction model was established to simulate and optimize the fractional Extraction process. To pursue a high productivity and reduce the required Stages, a high feed to aqueous phase ratio (F/W = 1) and an asymmetric separation mode were applied. By asymmetric separation where the optical purity of the product in extract phase and raffiniate phase is not equal, enantiomeric excess ( ee ) value for the eutomer of MT can reach up to 98.64% and yield can reach up to 64.68% with 20 Extraction Stages.
-
Experiments and simulation on Extraction of esmolol enantiomers from single Stage to multiStage
Separation and Purification Technology, 2018Co-Authors: Shichuan Wang, Panliang Zhang, Wanru Wang, Kewen TangAbstract:Abstract Enantioselective Extraction of esmolol (ES) enantiomers was performed with tartaric acid derivatives and boric acid (BA) as chiral extractant. The single–Stage Extraction experiments were carried out to construct the Extraction system for ES enantiomers through investigating type of tartaric acid derivatives, type of the organic solvent and temperature. The optimal conditions for Extraction system were achieved, which involves 1,2–dichloroethane as organic solvent, iso–butyl–D–tartrate (DT) as chiral selector and 278 K for Extraction temperature. A single–Stage Extraction model was established based on an interfacial reaction mechanism and proved to be reliable by verified experiments. Based on the single–Stage Extraction model and the law of mass conservation, a fractional Extraction model was explored to simulate and optimize the fractional Extraction process. The optimal operation conditions at temperature of 278 K were obtained including ES concentration of 0.01 mol/L, DT and BA concentrations of 0.1 mol/L, F/W of 0.25 and O/W of 1.0347, feeding in the middle Stage at pH of 5.50. The ee eq of 0.98 and Y eq of 0.99 can be achieved by symmetric separation with the number of Stages of 32 under the optimal conditions. As S–ES is the desired product, 10 Stages are enough to obtain 0.98 of ee raffinate for S–ES by asymmetric separation under the conditions containing ES concentration of 0.01 mol/L, DT and BA concentrations of 0.1 mol/L, F/W of 0.25 and O/W of 1.64, feeding in the Stage 2 at pH of 5.50.
-
Process optimization of reactive Extraction of clorprenaline enantiomers by experiment and simulation
Chemical Engineering and Processing - Process Intensification, 2018Co-Authors: Wanru Wang, Panliang Zhang, Guilin Dai, Kewen TangAbstract:Abstract This paper studied the process optimization of reactive Extraction of clorprenaline enantiomers (CP) by experiment and simulation. An efficient Extraction system was obtained through single Stage Extraction experiments, where boric acid (BA) in aqueous phase and D -isobutyl tartrate (DT) in organic phase were selected as extractant and 1,2-dichlorethane was selected as organic solvent. The best enantioselectivity (α) with 2.012 was obtained. The Extraction mechanism was proposed and thermodynamic constants such as physical partition coefficient and reactive equilibrium constants were obtained. Based on single Stage Extraction, phase and reactive equilibrium as well as the law of mass conservation, a model describing the fractional Extraction process was acquired. The process of symmetrical separation of CP was optimized by the model. The optimal conditions including flow rate ratio (O/W) of 1.5, pH of 5.0, CH3COONa/CH3COOH solution of 0.1 mol/L, clorprenaline concentration of 5 mmol/L, BA concentration of 0.10 mol/L and DT concentration of 0.075 mol/L were obtained. Under this case, equal enantiomeric excess (eeeq) could reach up to 67% by 10 Stages. The simulated results revealed that the minimum series for eeeq > 97% and eeeq > 99% were 26 and 33, respectively. The results will provide guides for scale up and design.
Tyge Greibrokk - One of the best experts on this subject based on the ideXlab platform.
-
Selectivity and yields in supercritical fluid Extraction of tar-mats and source rocks
Analytica Chimica Acta, 1993Co-Authors: M. Skurdal, M. Østbye, Tyge GreibrokkAbstract:Extraction of tar-mats and a petroleum source rock with supercritical carbon dioxide has been performed in an attempt to obtain class fractionation by multiStage Extractions. Depending on the experimental conditions the total yields were similar to or higher than the yields obtained with solvent Extraction. The tar-mats were extracted with a 3-Stage procedure and the bulk of the hydrocarbon biomarkers was found in the second fraction. The source rock was extracted first with a 5-Stage, then with a 2-Stage process. The 2-Stage Extraction contained the biomarkers in the first fraction, and the process was more rapid than the 5-Stage Extraction, although the yields were slightly reduced. Collection on C18 sorbent cartridges was performed both with and without water flow and compared to collection in a solvent. Cartridge collectors equipped with a small vacuum at the outlet were easy to use, free for solvent vapors, but resulted in loss of the volatile end of the extract.
Shichuan Wang - One of the best experts on this subject based on the ideXlab platform.
-
Experiments and simulation on Extraction of esmolol enantiomers from single Stage to multiStage
Separation and Purification Technology, 2018Co-Authors: Weifeng Xu, Panliang Zhang, Shichuan Wang, Wanru Wang, Kewen TangAbstract:Abstract Enantioselective Extraction of esmolol (ES) enantiomers was performed with tartaric acid derivatives and boric acid (BA) as chiral extractant. The single–Stage Extraction experiments were carried out to construct the Extraction system for ES enantiomers through investigating type of tartaric acid derivatives, type of the organic solvent and temperature. The optimal conditions for Extraction system were achieved, which involves 1,2–dichloroethane as organic solvent, iso–butyl–D–tartrate (DT) as chiral selector and 278 K for Extraction temperature. A single–Stage Extraction model was established based on an interfacial reaction mechanism and proved to be reliable by verified experiments. Based on the single–Stage Extraction model and the law of mass conservation, a fractional Extraction model was explored to simulate and optimize the fractional Extraction process. The optimal operation conditions at temperature of 278 K were obtained including ES concentration of 0.01 mol/L, DT and BA concentrations of 0.1 mol/L, F/W of 0.25 and O/W of 1.0347, feeding in the middle Stage at pH of 5.50. The ee eq of 0.98 and Y eq of 0.99 can be achieved by symmetric separation with the number of Stages of 32 under the optimal conditions. As S–ES is the desired product, 10 Stages are enough to obtain 0.98 of ee raffinate for S–ES by asymmetric separation under the conditions containing ES concentration of 0.01 mol/L, DT and BA concentrations of 0.1 mol/L, F/W of 0.25 and O/W of 1.64, feeding in the Stage 2 at pH of 5.50.
-
Modeling multiple chemical equilibrium in chiral Extraction of metoprolol enantiomers from single-Stage Extraction to fractional Extraction
Chemical Engineering Science, 2018Co-Authors: Panliang Zhang, Shichuan Wang, Kewen Tang, Yun-ren QiuAbstract:Abstract Enantioselective Extraction of metoprolol (MT) enantiomers with di-cyclohexyl (D)-tartrate (DT) and boric acid (BA) as chiral extractant was performed. The process involving multiple chemical equilibrium is very complicated and the process optimization is difficult. On the basis of an interfacial reaction mechanism, a single-Stage Extraction model was established. The operation conditions of pH and DT to BA ratio were obtained through simulation and optimization of the equilibrium of the two phase Extraction system. Based on the single-Stage Extraction model and the law of mass conservation, a fractional Extraction model was established to simulate and optimize the fractional Extraction process. To pursue a high productivity and reduce the required Stages, a high feed to aqueous phase ratio (F/W = 1) and an asymmetric separation mode were applied. By asymmetric separation where the optical purity of the product in extract phase and raffiniate phase is not equal, enantiomeric excess ( ee ) value for the eutomer of MT can reach up to 98.64% and yield can reach up to 64.68% with 20 Extraction Stages.
-
Experiments and simulation on Extraction of esmolol enantiomers from single Stage to multiStage
Separation and Purification Technology, 2018Co-Authors: Shichuan Wang, Panliang Zhang, Wanru Wang, Kewen TangAbstract:Abstract Enantioselective Extraction of esmolol (ES) enantiomers was performed with tartaric acid derivatives and boric acid (BA) as chiral extractant. The single–Stage Extraction experiments were carried out to construct the Extraction system for ES enantiomers through investigating type of tartaric acid derivatives, type of the organic solvent and temperature. The optimal conditions for Extraction system were achieved, which involves 1,2–dichloroethane as organic solvent, iso–butyl–D–tartrate (DT) as chiral selector and 278 K for Extraction temperature. A single–Stage Extraction model was established based on an interfacial reaction mechanism and proved to be reliable by verified experiments. Based on the single–Stage Extraction model and the law of mass conservation, a fractional Extraction model was explored to simulate and optimize the fractional Extraction process. The optimal operation conditions at temperature of 278 K were obtained including ES concentration of 0.01 mol/L, DT and BA concentrations of 0.1 mol/L, F/W of 0.25 and O/W of 1.0347, feeding in the middle Stage at pH of 5.50. The ee eq of 0.98 and Y eq of 0.99 can be achieved by symmetric separation with the number of Stages of 32 under the optimal conditions. As S–ES is the desired product, 10 Stages are enough to obtain 0.98 of ee raffinate for S–ES by asymmetric separation under the conditions containing ES concentration of 0.01 mol/L, DT and BA concentrations of 0.1 mol/L, F/W of 0.25 and O/W of 1.64, feeding in the Stage 2 at pH of 5.50.
-
Modeling Multiple Chemical Equilibrium in Single-Stage Extraction of Atenolol Enantiomers with Tartrate and Boric Acid as Chiral Selector
Journal of Chemical & Engineering Data, 2017Co-Authors: Panliang Zhang, Shichuan Wang, Weifeng Xu, Kewen TangAbstract:Enantioselective liquid–liquid Extraction (ELLE) was adopted to separate atenolol (AT) enantiomers, where tartrate and boric acid (BA) were used as the chiral selector. Influence of process variables on Extraction efficiency were studied, including type of tartaric acid derivatives, type of the organic solvent, pH of aqueous phase, molality of BA and tartaric acid derivatives, as well as temperature. A theoretical model was developed based on the mechanism research on reactive Extraction of AT enantiomers by n-hexyl (L)-tartrate (LT) and BA. Important parameters of this model were determined. By modeling and experiment, the optimal conditions identified involve the LT molality of 0.0796 mol·kg–1, BA molality of 0.1 mol·kg–1, AT molality of 1.592 mmol·kg–1, and pH value of 9.00 at 278 K, where the obtained enantioselectivity (α) is 1.8951 and performance factor (pf) is 0.0608.
Andrzej Górak - One of the best experts on this subject based on the ideXlab platform.
-
Modeling of single- and multi-Stage Extraction in the system of water, acetone, butanol, ethanol and ionic liquid
Fluid Phase Equilibria, 2016Co-Authors: Artur Kubiczek, Wladyslaw Kaminski, Andrzej GórakAbstract:Abstract This paper investigates liquid-liquid equilibrium (LLE) in the mixture of acetone, butanol, ethanol (ABE) and water in combination with three hydrophobic ionic liquids: 1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide [bmim][Tf 2 N], 1-hexyl-3-methylimidazolium hexafluorophosphate [hmim][PF 6 ]; and 1-butyl-1-methylpyrrolidinium bis(trifluoromethylsulphonyl)imide [bmp][Tf 2 N]. To model the LLE, the non-random two-liquid (NRTL) equation was used. The experimental data were taken from the cited work of Kaminski et al. (2014), where the unknown equation parameters had been determined with the help of Matlab programming. In this work, however, Aspen Plus™ software was employed as it readily facilitates further simulations of the Extraction step. Different yet similarly accurate sets of the NRTL parameters were obtained. After the model formulation, single-Stage and multi-Stage Extraction processes were simulated and examined in terms of ABE recovery effects.
-
Continuous multi-Stage Extraction of n-butanol from aqueous solutions with 1-hexyl-3-methylimidazolium tetracyanoborate
Separation and Purification Technology, 2013Co-Authors: Martin Stoffers, Andrzej GórakAbstract:Abstract The separation of n -butanol from fermentation broth is very challenging. Due to low n -butanol mass fractions in the broth, purification by distillation is energy- and thus cost-intensive. Therefore, alternative processes are required. One potential alternative process is liquid–liquid Extraction, which is promising due to mild operating conditions. In this paper, a continuous multi-Stage Extraction of n -butanol with the ionic liquid 1-hexyl-3-methylimidazolium tetracyanoborate is investigated experimentally and theoretically. Liquid–liquid equilibrium compositions of the system ionic liquid/synthetic medium are analysed in laboratory scale and compared to pilot scale experiments in a mixer–settler unit at 35 °C. The results confirm that a continuous separation of n -butanol is feasible. The solvent-to-feed ratio and n -butanol mass fraction in the aqueous feed influence the n -butanol recovery which lies between 85% and 99% in the mixer–settler unit depending on the process parameters. In the theoretical part of our study, the NRTL model is applied successfully to correlate experimental liquid–liquid equilibrium compositions of the ternary system ionic liquid/ n -butanol/water. Using this correlation, the multi-Stage Extraction is modelled and validated with pilot scale experiments. The results confirm the use of an equilibrium approach for the multi-Stage Extraction model without the need of Stage efficiency. Furthermore, they allow for a detailed process analysis, which reduces the experimental and financial effort.