Article
Environmental Sciences
Huzaifa Malik, Huma Warsi Khan, Mansoor Ul Hassan Shah, Muhammad Imran Ahmad, Iqra Khan, Abdullah A. Al-Kahtani, Mika Sillanpaa
Summary: Ionic liquids (ILs) were screened using COSMO-RS model and applied in extractive distillation for ethanol water separation. The selection of suitable ILs as green entrainers can reduce operating costs and minimize greenhouse gas emissions.
Article
Biotechnology & Applied Microbiology
Wenxiu Li, Linzi Zhang, Hongfan Guo, Qingfeng Ni, Huisheng Feng, Lida Wang, Tao Zhang
Summary: The non-random two-liquid model parameters were obtained for ternary mixtures of tetrahydrofuran and ethanol containing tributylmethylammonium acetate or 1-octyl-3-methylimidazolium acetate. Thermodynamic property databases were established for tributylmethylammonium acetate, 1-hexyl-2,3-dimethylimidazolium acetate, and 1-octyl-3-methylimidazolium acetate. The best operating conditions and minimum total annual cost of the extractive distillation process were determined using the sequential iterative method based on the thermodynamic model parameters and properties.
JOURNAL OF CHEMICAL TECHNOLOGY AND BIOTECHNOLOGY
(2023)
Article
Engineering, Chemical
Chao Guo
Summary: A new process for recovering ethanol and isopropyl alcohol from wastewater was proposed in this study, utilizing the ILs-SCED-HPD method instead of traditional methods such as EG-SCED and EG-DCED. The ILs-SCED-HPD process showed lower energy consumption and total annual cost compared to alternative processes, indicating its potential as a promising approach for ethanol and IPA recovery in terms of both energy and economics.
SEPARATION AND PURIFICATION TECHNOLOGY
(2021)
Article
Chemistry, Physical
Shengli Liu, Zhenhang Wang, Ruisong Zhu, Zhigang Lei, Jiqin Zhu
Summary: In this study, the ionic liquid 1-ethyl-3-methylimidazolium dicyanamide ([EMIM] [DCA]) was selected as an appropriate entrainer for extractive distillation of the methanol-ethanol-water mixture. Experimental and modeling approaches were used to demonstrate the effectiveness and energy efficiency of [EMIM][DCA] in the separation process.
GREEN ENERGY & ENVIRONMENT
(2021)
Article
Engineering, Chemical
Israel F. Martinez-Galmiche, Nelly Ramirez-Corona, Carolina Conde-Mejia, Kelvyn B. Sanchez-Sanchez, Rafiqul Gani, Arturo Jimenez-Gutierrez
Summary: This study presents designs of extractive distillation systems for ethanol-water separation using ionic liquids as entrainers. The most energy-efficient design consists of an extractive column, a desorption column, and a membrane unit for ionic liquid recovery.
CHEMICAL ENGINEERING RESEARCH & DESIGN
(2022)
Article
Energy & Fuels
Qing Zhao, Mengjin Zhou, Haiyang Cheng, Jiuxu Ruan, Yangyang Wang, Zhaoyou Zhu, Peizhe Cui, Yinglong Wang, Jingwei Yang
Summary: Efficient recovery of isopropyl acetate and isopropanol from wastewater during esterification is important. An efficient separation process using ionic liquid mixed solvent extractive distillation (MSED) to separate azeotropic mixtures was proposed. The results showed that the total annual cost (TAC) and gas emissions of the MSED and HPHIED process were significantly lower compared to traditional distillation processes.
Article
Chemistry, Physical
Hong Li, Guanlun Sun, Dongyang Li, Li Xi, Peng Zhou, Xingang Li, Ji Zhang, Xin Gao
Summary: This study selected an appropriate ionic liquid to separate ethyl acetate and ethanol, and investigated the interaction mechanism between solvent molecules and the ionic liquid through quantum mechanics calculations and molecular dynamics simulations. The results showed that the introduction of ILs has a prominent effect on reducing the number of hydrogen bonds among solvent molecules. Increasing the concentration of the cation will enhance the interaction with solvent molecules.
GREEN ENERGY & ENVIRONMENT
(2021)
Article
Chemistry, Physical
Jin Guo, Baifeng Hu, Zhengxu Li, Yuyang Zheng, Cheng Zhou, Qunsheng Li
Summary: The performance of ionic liquid [Emim][OAC] and organic solvent EG in disrupting the ethyl propionate and n-propanol azeotrope was evaluated through phase equilibrium experiments. The results showed that [Emim][OAC] exhibited better separation performance compared to EG, and increasing the amount of ionic liquid improved the separation efficiency. The optimal operating variables were determined through simulation and economic analysis, demonstrating the feasibility of the extractive distillation scheme for separating azeotropic systems.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Engineering, Chemical
Miguel Viar, Salvador Asensio-Delgado, Fernando Pardo, Gabriel Zarca, Ane Urtiaga
Summary: In this study, the design of extractive distillation (ED) processes for separating the components of the R-410A mixture was evaluated by considering the influence of mass transfer phenomena and ionic liquid (ILs) properties. The results showed that solubility selectivity was the most influential IL property, and [C2C1im][SCN] was identified as a promising entrainer due to its high solubility selectivity and low viscosity, which allowed for operation at lower temperatures. The recovered R-32 can serve as a greener alternative to high-GWP R-410A and as a main component in the formulation of new low-GWP mixtures.
SEPARATION AND PURIFICATION TECHNOLOGY
(2023)
Article
Engineering, Chemical
Yongqiang Cheng, Bo Yang, Guoxuan Li, Kai Chen, Zhong Wei, Xin Gao, Hong Li, Zhigang Lei
Summary: This study developed a reactive distillation coupled with extractive distillation process using ionic liquids as entrainers for the transesterification of n-prop-anol and methyl acetate. By using the COSMO-RS model, a suitable entrainer, 1-ethyl-3-methylimidazolium acetate, was selected. The process performance was significantly improved due to the strong hydrogen bond between the entrainer and the components. The new process showed higher energy efficiency and lower economic cost compared to the conventional process.
SEPARATION AND PURIFICATION TECHNOLOGY
(2022)
Article
Engineering, Chemical
Zhengrun Chen, Yasen Dai, Shuxiu Chi, Zihao Su, Jiafu Xing, Yinglong Wang, Yanyue Lu
Summary: The interaction between mixed extractant and azeotrope was discussed through molecular dynamics simulation, and the optimal mixing ratio was determined. Increasing the proportion of organic solvents can effectively promote the interaction between ionic liquids and esters, thus improving the separation effect. The study also found that the vapor recompression assisted extractive distillation with mixed entrainers had the best economic performance, reducing the annual total cost by 10.81% and gas emissions by 21.03% compared to traditional processes.
SEPARATION AND PURIFICATION TECHNOLOGY
(2021)
Article
Energy & Fuels
Yang Lei, Zhaoyang Yu, Zhiqiang Wei, Xinyan Liu, Hao Luo, Yuqiu Chen, Xiaodong Liang, Georgios M. Kontogeorgis
Summary: In the petrochemical industry, a highly energy-consuming and environmentally challenging separation of propylene/propane is addressed through the proposal of an energy-efficient extractive distillation process using a tailor-made ionic liquid solvent. The use of the optimized ionic liquid solvent results in significant energy savings and cost reduction compared to the conventional process.
Article
Thermodynamics
Elena Graczova, Pavol Steltenpohl
Summary: Experimental vapor-liquid equilibrium data for binary systems of ethanol or water with four ionic liquids were measured and analyzed. The accuracy of these data is crucial for the development of mathematical models for separation devices.
JOURNAL OF CHEMICAL THERMODYNAMICS
(2024)
Article
Energy & Fuels
Bo Yang, Yongqiang Cheng, Kai Chen, Zhong Wei, Zhigang Lei, Guoxuan Li
Summary: This study focuses on enhancing the ester hydrolysis to alcohol process through intensification using a combination of reactive and extractive distillation with ionic liquids-based mixed solvents. The use of ILMS processes significantly reduces energy consumption and total cost.
Article
Engineering, Chemical
Chao Guo, Fuqiang Wang, Jiafu Xing, Peizhe Cui
Summary: The separation of DMC/methanol/water azeotropic mixtures has been studied using organic solvents and ionic liquids. The interaction mechanisms between the components and the entrainers were explored, and the best separation sequence and process were determined based on energy and economic comparisons. The results showed that the [BMIM][Cl]-based direct extractive distillation process was the most efficient and cost-effective method.
SEPARATION AND PURIFICATION TECHNOLOGY
(2022)
Article
Thermodynamics
Huiyuan Li, Yanli Zhang, Yuanyuan Shen, Zhengrun Chen, Zhaoyuan Ma, Zhaoyou Zhu, Yinglong Wang
Summary: This study focused on using ionic liquids to separate n-heptane and DMC, determining activity coefficients, calculating separation and distribution coefficients, analyzing the extraction mechanism, and measuring experimental data. The research laid a foundation for the large-scale application of green solvents and provided theoretical guidance for the computer-aided selection of solvents with good separation effects.
FLUID PHASE EQUILIBRIA
(2022)
Article
Biotechnology & Applied Microbiology
Cuncheng Ma, Defeng Sun, Fangkun Zhang, Qilei Xu, Zhaoyou Zhu, Yinglong Wang, Baoming Shan
Summary: This study systematically investigates the optimal pressure-swing distillation (PSD) sequence, heat integration, and dynamic control for the separation of MEK/n-heptane/IPA from industrial wastewater. The results show that PSD processes with heat integration have lower total annual costs, while PSD processes without heat integration have better dynamic performance.
JOURNAL OF CHEMICAL TECHNOLOGY AND BIOTECHNOLOGY
(2022)
Article
Biotechnology & Applied Microbiology
Luyu Guo, Qilei Xu, Cuncheng Ma, Baoming Shan, Fangkun Zhang, Peizhe Cui, Yinglong Wangb, Zhaoyou Zhub
Summary: In this study, dynamic control schemes were designed for four separation processes involving the triple-column extractive distillation (TCED) process. The results showed that the control schemes designed were highly robust, resisting feed flow and composition disturbances. Variable ratio control combined with composition-temperature cascade was found to be crucial for double side-stream TCED schemes. CS-TCED was identified as the optimal process for N-hexane/acetone/chloroform separation in terms of control and economic perspectives.
JOURNAL OF CHEMICAL TECHNOLOGY AND BIOTECHNOLOGY
(2022)
Article
Engineering, Chemical
Yanli Zhang, Zihao Su, Ke Xue, Jiafu Xing, Dingchao Fan, Jianguang Qi, Zhaoyou Zhu, Yinglong Wang
Summary: This study investigated the efficient separation of MTBE from gasoline using ILs and explored the separation mechanism using quantum chemistry and molecular dynamics. The results showed that 1-butyl-3-methylimidazolium nitrate and 1-ethanyl-3-methylimidazole hydrogen sulfate had the highest extraction rate.
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
(2022)
Article
Green & Sustainable Science & Technology
Zhengrun Chen, Yanli Zhang, Mengjin Zhou, Kexin Yin, Yaru Zhou, Peizhe Cui, Zhaoyou Zhu, Limei Zhong, Yinglong Wang
Summary: This study focuses on the development and utilization of high-performance extractants and intensification technologies in the separation of azeotropes by extractive distillation. By calculating the selectivity and solubility of 96 ionic liquids, the study identified the best extractant and analyzed the structure-activity relationship between molecules using quantum chemistry. The results demonstrated the potential of certain mixed extractants in effectively separating azeotropes during extractive distillation processes, leading to energy savings. Additionally, optimization of the separation process and operating parameters can result in reduced costs and decreased pollutant gas emissions.
JOURNAL OF CLEANER PRODUCTION
(2022)
Article
Green & Sustainable Science & Technology
Yixin Ma, Huaqing Qi, Jifu Zhang, Peizhe Cui, Zhaoyou Zhu, Yinglong Wang
Summary: In light of the escalating number of end-of-life tires and their environmental impact, this study proposes a disposal process that utilizes plasma gasification to convert these tires into syngas and generate hydrogen. Comparing the effects of oxygen and air versus steam and air on hydrogen production, it was found that using steam and air as the gasification agent yielded a carbon conversion rate, energy recovery rate, and exergy efficiency of 99.12%, 93.67%, and 80.04% respectively. Moreover, a suitable carbon capture process was explored, with results showing that the monoethanolamine absorption process outperformed Rectisol in terms of CO2 capture rate. However, the monoethanolamine absorption process had a lower exergy efficiency of 40.04% compared to Rectisol. The most efficient process for hydrogen production from end-of-life tires by plasma gasification involved steam and air as the gasification agent and integrated Rectisol for carbon capture, with a total exergy efficiency of 36.45%. This study provides theoretical support for end-of-life tire management and pollution reduction.
JOURNAL OF CLEANER PRODUCTION
(2023)
Article
Green & Sustainable Science & Technology
Zaifeng Xu, Yaru Zhou, Kexin Yin, Jifu Zhang, Zhaoyou Zhu, Yinglong Wang, Peizhe Cui
Summary: This study investigated two food waste treatment processes, plasma gasification hydrogen production and plasma gasification coupled with chemical looping, for converting food waste into high-quality hydrogen energy. The exergy, economic, and environmental benefits of the hydrogen production system were analyzed using Aspen Plus software simulation. Plasma gasification technology exhibits a high production capacity and economic input, while plasma gasification coupled with chemical looping can alleviate electricity consumption and is more environmentally friendly. The proposed novel process promotes food waste resource treatment and energy reuse.
JOURNAL OF CLEANER PRODUCTION
(2023)
Article
Chemistry, Multidisciplinary
Peizhe Cui, Yaru Zhou, Tingting Song, Zaifeng Xu, Jifu Zhang, Yangyang Liu, Yinglong Wang, HuaQing Qi, Lei Han, Sheng Yang
Summary: This study proposes a low-carbon ammonia synthesis process based on the cold energy utilization of liquified natural gas regasification to reduce the high energy consumption of ammonia synthesis. The process uses the cold energy released from liquified natural gas regasification as the refrigeration source for the air separation unit and carbon capture and storage unit, improving the comprehensive energy utilization efficiency. The total efficiency of the process is 42.69%, with an ammonia production capacity of 35.07 t/h. The proposed process effectively solves the high energy consumption in ammonia synthesis and provides a valuable production route for low-carbon ammonia synthesis.
ACS SUSTAINABLE CHEMISTRY & ENGINEERING
(2023)
Article
Engineering, Chemical
Chao Sun, Jiafu Xing, Yajuan Qu, Yanli Zhang, Peizhe Cui, Yinglong Wang, Jun Gao
Summary: Deep eutectic solvents (DESs) were used to separate the azeotropes of dimethyl carbonate (DMC) and isopropyl alcohol (IPA). Liquid-liquid equilibrium (LLE) data was crucial in designing the separation process, and three appropriate DESs (ChCl-Urea, ChCl-Gly, ChCl-EG) were selected. LLE data of DMC-IPA-(ChCl-Urea), DMC-IPA-(ChCl-EG), and DMC-IPA-(ChCl-Gly) were obtained through experiments, and the binary interaction parameters were determined using the NRTL model. The extraction mechanism of the DESs and the formation mechanism of the combined structures (DES-IPA/DMC) were explored through ESP and AIM analysis.
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
(2023)
Article
Green & Sustainable Science & Technology
Jifu Zhang, Haiyang Cheng, Zaifeng Xu, Yaru Zhou, Kexin Yin, Xianlong Wang, Ying Gao, Chaoyue Sun, Yinglong Wang, Peizhe Cui
Summary: The amount of food waste generated annually has increased due to rapid urbanization, posing serious threats to the environment and human health. A novel combined cooling, heating, power, and dehumidification system based on food waste plasma gasification (PG) is proposed to address this issue. The system demonstrates high electrical, thermal, and exergy efficiencies, as well as effective removal of moisture, humidity, and CO2 from the food waste. It provides a new method for efficient utilization of food waste.
JOURNAL OF CLEANER PRODUCTION
(2023)
Article
Chemistry, Multidisciplinary
Yinglong Wang, Tianxiong Liu, Zihao Dong, Wenguang Zhu, Yusen Chen, Mengjin Zhou, Peizhe Cui, Zhaoyou Zhu
Summary: This study establishes a quantitative structure-property relationship (QSPR) model of ionic liquids (ILs) using molecular descriptors (MD), molecular identifiers (MI), and their combinations. The QSPR model, built by coupling deep neural network (DNN) and random forest (RF), shows the best performance when using MI to represent ILs and DNN. The Shapley additive explanation (SHAP) method is applied to analyze features and obtain valuable molecular structure information for prediction. Different MD and MI contribute differently in the prediction of H2S solubility and can correctly identify the impact of environmental factors (temperature and pressure). Additionally, the influence of different carbon chain lengths on the solubility of H2S is studied by calculating the electrostatic potential (ESP) between H2S and ILs.
ACS SUSTAINABLE CHEMISTRY & ENGINEERING
(2023)
Article
Engineering, Chemical
Tianxiong Liu, Dingchao Fan, Yusen Chen, Yasen Dai, Yuyang Jiao, Peizhe Cui, Yinglong Wang, Zhaoyou Zhu
Summary: In this study, a novel molecular structure encoding method was developed, and a convolutional autoencoder was used for denoising based on the structure of ionic liquids (ILs). Combined with three different machine learning algorithms (multilayer perceptron [MLP], random forest [RF], and support vector machine [SVM]), it showed better prediction performance for CO2 solubility in ILs than conventional cheminformatics descriptors. The SE-MLP model achieved the best performance with an R-2 value of 0.9873 and a mean square error of 0.0007.
Article
Thermodynamics
Peizhe Cui, Jifu Zhang, Yangyang Liu, Yaru Zhou, Zhaoyou Zhu, Jun Gao, Yinglong Wang
Summary: Clean-energy vehicles, such as hydrogen fuel cell vehicles and natural gas vehicles, contribute to reducing greenhouse gas emissions and environmental pollution. A life cycle assessment was conducted to compare the environmental performance of hydrogen FCV and NGV under different fuel production methods. The study found that hydrogen FCV had better environmental performance, especially when produced using wind-power-assisted electrolysis. The study also evaluated the environmental impact of the manufacturing process and provided insights for the sustainable development of these vehicles.
Article
Green & Sustainable Science & Technology
Haiyang Cheng, Jianhui Zhong, Yasen Dai, Yuyang Jiao, Zhaoyou Zhu, Peizhe Cui, Jianguang Qi, Yinglong Wang
Summary: This study developed a highly efficient separation of ethyl acetate/ethanol/water azeotrope using extractive distillation with a mixed solvent. The optimal process scheme was obtained through multi-objective optimization, considering both economy and environment. The results showed that the heat pump-assisted extractive distillation process had significant advantages in terms of gas emission reduction and energy consumption. This study is of great significance for the separation of high purity ethyl acetate and the recovery of wastewater.
JOURNAL OF CLEANER PRODUCTION
(2023)
Article
Chemistry, Multidisciplinary
Qinggang Xu, Jiafu Xing, Yuyang Jiao, Zihao Su, Yanli Zhang, Peizhe Cui, Jianguang Qi, Zhaoyou Zhu, Yinglong Wang, Yixin Ma
Summary: We proposed a heuristic predictive model based on TAC and LCA indexes to qualitatively screen the optimal entrainer for the extractive distillation process. It considers various factors such as relative volatility, tray number, hot steam consumption, green sustainability, and toxicity. The model can efficiently separate multi-component azeotropes and provides reference significance for the screening and application of deep eutectic solvents, ionic liquids, and their mixed solvents.
Article
Energy & Fuels
Laura L. Trinkies, Marlene Crone, Michael Tuerk, Manfred Kraut, Roland Dittmeyer
Summary: In this study, mono- and bimetallic Pd and Pt catalysts were deposited via supercritical fluid reactive deposition (SFRD) on TiO2 coated additively manufactured substrates. The focus of this work was to evaluate the suitability of these catalysts for the direct synthesis of H2O2 in the liquid phase. The results showed that all catalysts exhibited high activity and productivity, with PdPt bimetallic catalysts showing the highest productivity and an increase in Pd loading leading to a decrease in productivity. Comparison with literature data demonstrated the high suitability of the SFRD method for the proposed application, with the added benefits of simplicity and environmental friendliness in catalyst production.
CHEMICAL ENGINEERING AND PROCESSING-PROCESS INTENSIFICATION
(2024)
Article
Energy & Fuels
Xiongbao Hu, Zuguo Shen, Yu Wang
Summary: It is impossible to control the outer wall temperature of the micro-combustor below the maximum allowable temperature of commercial thermoelectric generators simply through increasing the equivalent heat transfer coefficient. Three simple strategies were developed to improve temperature uniformity, yet none of them could ensure full temperature control.
CHEMICAL ENGINEERING AND PROCESSING-PROCESS INTENSIFICATION
(2024)
