Extractive distillation is an effective method for separating azeotropic or close boiling point mixtures by adding a third component.Various technologies for performing the extractive distillation process have been ex...Extractive distillation is an effective method for separating azeotropic or close boiling point mixtures by adding a third component.Various technologies for performing the extractive distillation process have been explored to protect the environment and save resources.This paper focuses on the improvement of these advanced technologies in recent years.Extractive distillation is retrieved and analyzed from the view of phase equilibrium,selection of solvent in extractive distillation,process design,energy conservation,and dynamic control.The quantitative structure–property relationship used in extractive distillation is discussed,and the future development of extractive distillation is proposed to determine how the solvent affects the relative volatility of the separated mixture.In the steady state design,the relationship between the curvature of the residue curve and parameters of the optimal steady state is also highlighted as another field worthy of further study to simplify the distillation process.展开更多
This wok proposed the extraction distillation coupled pervaporation(ED+PV) technology process using two different solvents to separate isopropanol(IPA) and diisopropyl ether(DIPE) from DIPE/IPA/H_(2)O ternary heteroge...This wok proposed the extraction distillation coupled pervaporation(ED+PV) technology process using two different solvents to separate isopropanol(IPA) and diisopropyl ether(DIPE) from DIPE/IPA/H_(2)O ternary heterogeneous azeotropes in industrial wastewater from the synthesis of isopropanol in this study.Based on strict design specifications, simulation and sequential iteration methods are used for process design and optimization. Compared to the ethylene glycol(EG)-EG+H_(2)O process and the 1,3-propanediol(PDO)-IPA+H_(2)O process, the total annual cost(TAC) of the EG-IPA+H_(2)O process decreased by 20.76% and 7.86%(PDO). Compared to the EG-EG+H_(2)O process, the TAC of the PDO-IPA+H_(2)O process reduced 14%, but the global warming potential(GWP) and human toxicity of the PDO-IPA+H_(2)O process increased 11.3% and 4.07% respectively. Compared to the PDO-IPA+H_(2)O process, the EG-IPA+H_(2)O process saves 7.86%(TAC), 9.78%(GWP) and 9.85%(human toxicity). The ED+PV process with EG is superior to PDO in factors of TAC, energy consumption, human toxicity and environment. The EG-IPA+H_(2)O process changed the separation order of the products of the multi-azeotropic system, reduced the cost and energy conservation of the system, and enhanced the environmental protection evaluation of the process, is the best process through life cycle assessment for analyzing the economy, energy conservation, environmental assessment and human toxicity, designing cleaner products, controlling waste discharge, and promoting the chemical purification industry. This work provides a new process design and optimized separation ideas, will have a good guiding significance for the research and application separation of multi-azeotropic mixture with mixed solvents in organic wastewater from the cleaner chemical production, has been up to standard wastewater discharge process, and realized the development goal of carbon peak and carbon neutrality in the sustainable development of chemical clean industry.展开更多
Dynamic controls of pressure-swing distillation with an intermediate connection(PSDIC) process of ethyl acetate and ethanol separation were investigated.The double temperature/composition cascade control structure can...Dynamic controls of pressure-swing distillation with an intermediate connection(PSDIC) process of ethyl acetate and ethanol separation were investigated.The double temperature/composition cascade control structure can perfectly implement effective control when ±20% feed disturbances were introduced.This control structure did not require the control of the flowrate of the side stream.The dynamic controllability of PSDIC with partial heat integration(PHIPSDIC) was also explored.The improved control structure can effectively control ±20% feed disturbances.However,in industrial production,simple controller,sensitive and easy to operate,is the optimal target.To avoid the use of component controllers or complex control structure,the original product purities could be maintained using the basic control structure for the PSDIC process if the product purities in steady state were properly increased,albeit by incurring a slight rise in the total annual cost(TAC).This alternative method without a composition controller combined with the energy-saving PSDIC process provides a simple and effective control scheme in industrial production.展开更多
For a long time,China's regional water resource imbalance has restricted the development of coal chemical industry,and it is imperative to achieve zero liquid discharge(ZLD).Therefore,the game relationship between...For a long time,China's regional water resource imbalance has restricted the development of coal chemical industry,and it is imperative to achieve zero liquid discharge(ZLD).Therefore,the game relationship between technical indicators,costs and emissions in ZLD process of fixed-bed coal gasification wastewater treatment process should be explored in detail.According to the accurate model,the simulation for ZLD of fixed-bed coal gasification wastewater treatment process is established,and this process is assessed from the perspective of thermodynamics,economy,and environment.The total energy consumption of ZLD process before optimization is 4.032×10^(8)W.The results of exergy analysis show exergy destruction of ZLD process is 94.55%.For economic and environmental results,the total annual cost is 1.892×10^(7)USD·a^(-1)and the total environmental impact is 4.782×10^(-8).The total energy consumption of the optimal six-step ZLD process based on multi-objective optimization is 4.028×10^(8)W.The CO_(2)content in the treated wastewater is 0.1%.This study will have an important role in promoting the establishment of the ZLD process for coal chemistry industry.展开更多
tert-butanol and ethyl acetate,as fuel additives and oxygenated fuels,can improve fuels quality and reduce exhaust emissions.Therefore,the recovery of these compounds from azeotropic systems is of great significance.I...tert-butanol and ethyl acetate,as fuel additives and oxygenated fuels,can improve fuels quality and reduce exhaust emissions.Therefore,the recovery of these compounds from azeotropic systems is of great significance.Ionic liquids(ILs)are promising green solvents for separating azeotropic systems.In this study,an efficient extraction strategy based on 1-butyl-3-methylimidazolium acetate([Bmim][AC])is proposed.The mechanism by which ILs enable the separation of binary alcohol-ester azeotropes was revealed by evaluating the lowest conformational energy through combining an independent gradient model based on the Hirshfeld partition(IGMH)and frontier molecular orbitals,to preliminarily screen the extractants.The range of extractants was further reduced by a vapor–liquid phase equilibrium(VLE)experiment,and a modeling method for separating the alcohol–ester system and recovering the solvent using[Bmim][AC]and 1-ethyl-3-methyl-3-imidazolium acetate([Emim][AC])is established.Under the optimal operating conditions,the use of[Bmim][AC]can reduce the total annual cost(TAC)per year by 17.78%,and the emissions of CO_(2),SO_(2),and NO can be reduced by 10.86%.In this study,a comprehensive method for screening extractants is proposed,and the simulation process is optimized in combination with the economic and environmental impact.The results have important guiding significance for realizing efficient,energy-saving,and green azeotropic separation systems in industry.展开更多
A large amount of waste liquids containing methanol/acetone/water mixtures are produced in the synthesis of methyl methacrylate(MMA).Under the advocacy of green chemical industry,it is urgent to develop an efficient,e...A large amount of waste liquids containing methanol/acetone/water mixtures are produced in the synthesis of methyl methacrylate(MMA).Under the advocacy of green chemical industry,it is urgent to develop an efficient,economic and energy-saving mixture separation process.Through thermodynamic azeotropic behavior and pressure sensitivity analysis,pressure-swing distillation was determined and the optimal separation pressure of each column in the process was obtained.Due to the composition of waste liquids produced were quite different in MMA production,the pressure-swing distillation separation process was designed to fully achieve the accurate waste liquids treatment.Taking the total annual cost(TAC)as the target,the sequential iteration method was used to optimize the process,and the impact of composition on economy was compared.In order to further realize the energy-saving of the separation process,the pervaporation membrane module was introduced to pretreat the waste liquid in the pressure-swing distillation.The results showed that the TAC of the coupling process was 46% higher than that of the pressure-swing distillation process,and the thermodynamic efficiency was 30% higher.This study provides waste liquid treatment technology for enterprises and analyzes its economic and energy efficiency,which has reference significance for the development of coupled separation technology.展开更多
In this work,the ternary azeotrope of tert-butyl alcohol/ethyl acetate/water is separated by extractive distillation(ED)to recover the available constituents and protect the environment.Based on the conductor like shi...In this work,the ternary azeotrope of tert-butyl alcohol/ethyl acetate/water is separated by extractive distillation(ED)to recover the available constituents and protect the environment.Based on the conductor like shielding model and relative volatility method,ethylene glycol was selected as the extractant in the separation process.In addition,in view of the characteristic that the relative volatility between components changes with pressure,the multi-objective optimization method based on nondominated sorting genetic algorithm II optimizes the pressure and the amount of solvent cooperatively to avoid falling into the optimal local solution.Based on the optimal process parameters,the proposed heat-integrated process can reduce the gas emissions by 29.30%.The heat-integrated ED,further coupled with the pervaporation process,can reduce gas emission by 42.36%and has the highest exergy efficiency of 47.56%.In addition,based on the heat-integrated process,the proposed two heat pump assisted heat-integrated ED processes show good economic and environmental performance.The double heat pump assisted heat-integrated ED can reduce the total annual cost by 28.78%and the gas emissions by 55.83%compared with the basis process,which has a good application prospect.This work provides a feasible approach for the separation of ternary azeotropes.展开更多
Ionic liquids(ILs)have garnered significant interest owing to their distinct physicochemical traits.Nonetheless,their extensive application is curtailed by ecotoxicity concerns.This study aimed to develop a quantitati...Ionic liquids(ILs)have garnered significant interest owing to their distinct physicochemical traits.Nonetheless,their extensive application is curtailed by ecotoxicity concerns.This study aimed to develop a quantitative structure-activity relationship(QSAR)model for predicting the toxicity of ILs in biological cells.Toxicity data of ILs on leukemia rat cell line IPC-81,Escherichia coli(E.coli),and acetylcholinesterase(AChE)were collected from open-source databases,and two integrated models,random forest(RF)and gradient boosted decision tree(GBDT),were used to train the data.The molecular structures of the ILs were represented by three different methods,namely molecular descriptor(MD),molecular fingerprint(MF),and molecular identifier(MI),respectively.The Tanimoto similarity coefficients indicate that MD has a stronger ability to recognize structural similarity.Statistical metrics of model performance showed that the two models(MD-RF and MD-GBDT)with MD as an input feature performed better in the three datasets.The application of the SHapley Additive exPlanations(SHAP)method explains the importance of different features.Specifically,reducing the carbon chain length and the number of fluorine atoms in the structure of ILs can effectively reduce their toxic effects on biological cells.展开更多
The traditional approach to solvent selction in the extractive distillation process strictly focuses on the change in the relative voltility of light-heavy components induced by the solvent.However,the total annual co...The traditional approach to solvent selction in the extractive distillation process strictly focuses on the change in the relative voltility of light-heavy components induced by the solvent.However,the total annual cost of the process may not be minimal when the solvent induces the largest change in relative volatility.This work presents a heuristic method for selecting the optimal solvent to minimize the total annual cost.The functional relationship between the relative volatility and the total annual cost is established,where the main factors,such as the relative volatility of the light-heavy components and the relative volatility of the heavy-component solvent,are taken into account.Binary azeotropic mixtures of methanol-toluene and methanol-acetone are separated to verify the feasibility of the model.The results show that using the solvent with the minimal two-column extractive distillation index,the process achieves a minimal total annual cost.The method is conducive for sustainable advancements in chemistry and engineering because a suitable solvent can be selected without simulation verification.展开更多
基金Supported by the National Natural Science Foundation of China(21676152)
文摘Extractive distillation is an effective method for separating azeotropic or close boiling point mixtures by adding a third component.Various technologies for performing the extractive distillation process have been explored to protect the environment and save resources.This paper focuses on the improvement of these advanced technologies in recent years.Extractive distillation is retrieved and analyzed from the view of phase equilibrium,selection of solvent in extractive distillation,process design,energy conservation,and dynamic control.The quantitative structure–property relationship used in extractive distillation is discussed,and the future development of extractive distillation is proposed to determine how the solvent affects the relative volatility of the separated mixture.In the steady state design,the relationship between the curvature of the residue curve and parameters of the optimal steady state is also highlighted as another field worthy of further study to simplify the distillation process.
基金supported by the National Natural Science Foundation of China (21776145 and 21808117)。
文摘This wok proposed the extraction distillation coupled pervaporation(ED+PV) technology process using two different solvents to separate isopropanol(IPA) and diisopropyl ether(DIPE) from DIPE/IPA/H_(2)O ternary heterogeneous azeotropes in industrial wastewater from the synthesis of isopropanol in this study.Based on strict design specifications, simulation and sequential iteration methods are used for process design and optimization. Compared to the ethylene glycol(EG)-EG+H_(2)O process and the 1,3-propanediol(PDO)-IPA+H_(2)O process, the total annual cost(TAC) of the EG-IPA+H_(2)O process decreased by 20.76% and 7.86%(PDO). Compared to the EG-EG+H_(2)O process, the TAC of the PDO-IPA+H_(2)O process reduced 14%, but the global warming potential(GWP) and human toxicity of the PDO-IPA+H_(2)O process increased 11.3% and 4.07% respectively. Compared to the PDO-IPA+H_(2)O process, the EG-IPA+H_(2)O process saves 7.86%(TAC), 9.78%(GWP) and 9.85%(human toxicity). The ED+PV process with EG is superior to PDO in factors of TAC, energy consumption, human toxicity and environment. The EG-IPA+H_(2)O process changed the separation order of the products of the multi-azeotropic system, reduced the cost and energy conservation of the system, and enhanced the environmental protection evaluation of the process, is the best process through life cycle assessment for analyzing the economy, energy conservation, environmental assessment and human toxicity, designing cleaner products, controlling waste discharge, and promoting the chemical purification industry. This work provides a new process design and optimized separation ideas, will have a good guiding significance for the research and application separation of multi-azeotropic mixture with mixed solvents in organic wastewater from the cleaner chemical production, has been up to standard wastewater discharge process, and realized the development goal of carbon peak and carbon neutrality in the sustainable development of chemical clean industry.
基金supported by the National Natural Science Foundation of China (No.21776145 and 21676152)。
文摘Dynamic controls of pressure-swing distillation with an intermediate connection(PSDIC) process of ethyl acetate and ethanol separation were investigated.The double temperature/composition cascade control structure can perfectly implement effective control when ±20% feed disturbances were introduced.This control structure did not require the control of the flowrate of the side stream.The dynamic controllability of PSDIC with partial heat integration(PHIPSDIC) was also explored.The improved control structure can effectively control ±20% feed disturbances.However,in industrial production,simple controller,sensitive and easy to operate,is the optimal target.To avoid the use of component controllers or complex control structure,the original product purities could be maintained using the basic control structure for the PSDIC process if the product purities in steady state were properly increased,albeit by incurring a slight rise in the total annual cost(TAC).This alternative method without a composition controller combined with the energy-saving PSDIC process provides a simple and effective control scheme in industrial production.
基金supported by the National Natural Science Foundation of China(22078166,22178188)。
文摘For a long time,China's regional water resource imbalance has restricted the development of coal chemical industry,and it is imperative to achieve zero liquid discharge(ZLD).Therefore,the game relationship between technical indicators,costs and emissions in ZLD process of fixed-bed coal gasification wastewater treatment process should be explored in detail.According to the accurate model,the simulation for ZLD of fixed-bed coal gasification wastewater treatment process is established,and this process is assessed from the perspective of thermodynamics,economy,and environment.The total energy consumption of ZLD process before optimization is 4.032×10^(8)W.The results of exergy analysis show exergy destruction of ZLD process is 94.55%.For economic and environmental results,the total annual cost is 1.892×10^(7)USD·a^(-1)and the total environmental impact is 4.782×10^(-8).The total energy consumption of the optimal six-step ZLD process based on multi-objective optimization is 4.028×10^(8)W.The CO_(2)content in the treated wastewater is 0.1%.This study will have an important role in promoting the establishment of the ZLD process for coal chemistry industry.
基金National Natural Science Foundation of China(22078166)Taishan Scholar Constructive Engineering Foundation(tsqn202211163).
文摘tert-butanol and ethyl acetate,as fuel additives and oxygenated fuels,can improve fuels quality and reduce exhaust emissions.Therefore,the recovery of these compounds from azeotropic systems is of great significance.Ionic liquids(ILs)are promising green solvents for separating azeotropic systems.In this study,an efficient extraction strategy based on 1-butyl-3-methylimidazolium acetate([Bmim][AC])is proposed.The mechanism by which ILs enable the separation of binary alcohol-ester azeotropes was revealed by evaluating the lowest conformational energy through combining an independent gradient model based on the Hirshfeld partition(IGMH)and frontier molecular orbitals,to preliminarily screen the extractants.The range of extractants was further reduced by a vapor–liquid phase equilibrium(VLE)experiment,and a modeling method for separating the alcohol–ester system and recovering the solvent using[Bmim][AC]and 1-ethyl-3-methyl-3-imidazolium acetate([Emim][AC])is established.Under the optimal operating conditions,the use of[Bmim][AC]can reduce the total annual cost(TAC)per year by 17.78%,and the emissions of CO_(2),SO_(2),and NO can be reduced by 10.86%.In this study,a comprehensive method for screening extractants is proposed,and the simulation process is optimized in combination with the economic and environmental impact.The results have important guiding significance for realizing efficient,energy-saving,and green azeotropic separation systems in industry.
基金supported by the National Natural Science Foundation of China(22078166)。
文摘A large amount of waste liquids containing methanol/acetone/water mixtures are produced in the synthesis of methyl methacrylate(MMA).Under the advocacy of green chemical industry,it is urgent to develop an efficient,economic and energy-saving mixture separation process.Through thermodynamic azeotropic behavior and pressure sensitivity analysis,pressure-swing distillation was determined and the optimal separation pressure of each column in the process was obtained.Due to the composition of waste liquids produced were quite different in MMA production,the pressure-swing distillation separation process was designed to fully achieve the accurate waste liquids treatment.Taking the total annual cost(TAC)as the target,the sequential iteration method was used to optimize the process,and the impact of composition on economy was compared.In order to further realize the energy-saving of the separation process,the pervaporation membrane module was introduced to pretreat the waste liquid in the pressure-swing distillation.The results showed that the TAC of the coupling process was 46% higher than that of the pressure-swing distillation process,and the thermodynamic efficiency was 30% higher.This study provides waste liquid treatment technology for enterprises and analyzes its economic and energy efficiency,which has reference significance for the development of coupled separation technology.
基金supported by the National Natural Science Foundation of China(22178188).
文摘In this work,the ternary azeotrope of tert-butyl alcohol/ethyl acetate/water is separated by extractive distillation(ED)to recover the available constituents and protect the environment.Based on the conductor like shielding model and relative volatility method,ethylene glycol was selected as the extractant in the separation process.In addition,in view of the characteristic that the relative volatility between components changes with pressure,the multi-objective optimization method based on nondominated sorting genetic algorithm II optimizes the pressure and the amount of solvent cooperatively to avoid falling into the optimal local solution.Based on the optimal process parameters,the proposed heat-integrated process can reduce the gas emissions by 29.30%.The heat-integrated ED,further coupled with the pervaporation process,can reduce gas emission by 42.36%and has the highest exergy efficiency of 47.56%.In addition,based on the heat-integrated process,the proposed two heat pump assisted heat-integrated ED processes show good economic and environmental performance.The double heat pump assisted heat-integrated ED can reduce the total annual cost by 28.78%and the gas emissions by 55.83%compared with the basis process,which has a good application prospect.This work provides a feasible approach for the separation of ternary azeotropes.
基金supported by the National Natural Science Foundation of China(No.22078166)Qingdao University of Science and Technology Independent Research and Innovation Program(S2023KY002).
文摘Ionic liquids(ILs)have garnered significant interest owing to their distinct physicochemical traits.Nonetheless,their extensive application is curtailed by ecotoxicity concerns.This study aimed to develop a quantitative structure-activity relationship(QSAR)model for predicting the toxicity of ILs in biological cells.Toxicity data of ILs on leukemia rat cell line IPC-81,Escherichia coli(E.coli),and acetylcholinesterase(AChE)were collected from open-source databases,and two integrated models,random forest(RF)and gradient boosted decision tree(GBDT),were used to train the data.The molecular structures of the ILs were represented by three different methods,namely molecular descriptor(MD),molecular fingerprint(MF),and molecular identifier(MI),respectively.The Tanimoto similarity coefficients indicate that MD has a stronger ability to recognize structural similarity.Statistical metrics of model performance showed that the two models(MD-RF and MD-GBDT)with MD as an input feature performed better in the three datasets.The application of the SHapley Additive exPlanations(SHAP)method explains the importance of different features.Specifically,reducing the carbon chain length and the number of fluorine atoms in the structure of ILs can effectively reduce their toxic effects on biological cells.
基金This work is supported by the National Natural Science Foundation of China(Grant Nos.21776145 and 21676152).
文摘The traditional approach to solvent selction in the extractive distillation process strictly focuses on the change in the relative voltility of light-heavy components induced by the solvent.However,the total annual cost of the process may not be minimal when the solvent induces the largest change in relative volatility.This work presents a heuristic method for selecting the optimal solvent to minimize the total annual cost.The functional relationship between the relative volatility and the total annual cost is established,where the main factors,such as the relative volatility of the light-heavy components and the relative volatility of the heavy-component solvent,are taken into account.Binary azeotropic mixtures of methanol-toluene and methanol-acetone are separated to verify the feasibility of the model.The results show that using the solvent with the minimal two-column extractive distillation index,the process achieves a minimal total annual cost.The method is conducive for sustainable advancements in chemistry and engineering because a suitable solvent can be selected without simulation verification.
