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Integration of molecular dynamic simulation and free volume theory for modeling membrane VOC/gas separation

Bo Chen, Yan Dai, Xuehua Ruan, Yuan Xi, Gaohong He

《化学科学与工程前沿（英文）》 2018年 第12卷 第2期   页码 296-305 doi: 10.1007/s11705-018-1701-3

摘要： Gas membrane separation process is highly unpredictable due to interacting non-ideal factors, such as composition/pressure-dependent permeabilities and real gas behavior. Although molecular dynamic (MD) simulation can mimic those complex effects, it cannot precisely predict bulk properties due to scale limitations of calculation algorithm. This work proposes a method for modeling a membrane separation process for volatile organic compounds by combining the MD simulation with the free volume theory. This method can avoid the scale-up problems of the MD method and accurately simulate the performance of membranes. Small scale MD simulation and pure gas permeation data are employed to correlate pressure-irrelevant parameters for the free volume theory; by this approach, the microscopic effects can be directly linked to bulk properties (non-ideal permeability), instead of being fitted by a statistical approach. A lab-scale hollow fiber membrane module was prepared for the model validation and evaluation. The comparison of model predictions with experimental results shows that the deviations of product purity are reduced from 10% to less than 1%, and the deviations of the permeate and residue flow rates are significantly reduced from 40% to 4%, indicating the reliability of the model. The proposed method provides an efficient tool for process engineering to simulate the membrane recovery process.

关键词： membrane vapor separation     membrane process modeling     process engineering     free volume theory     volatile organic compound    

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A review on membrane distillation in process engineering: design and exergy equations, materials and

《化学科学与工程前沿（英文）》 2022年 第16卷 第5期   页码 592-613 doi: 10.1007/s11705-021-2105-3

摘要： One of the problems that most afflicts humanity is the lack of clean water. Water stress, which is the pressure on the quantity and quality of water resources, exists in many places throughout the World. Desalination represents a valid solution to the scarcity of fresh water and several technologies are already well applied and successful (such as reverse osmosis), producing about 100 million m3·d−1 of fresh water. Further advances in the field of desalination can be provided by innovative processes such as membrane distillation. The latter is of particular interest for the treatment of waste currents from conventional desalination processes (for example the retentate of reverse osmosis) as it allows to desalt highly concentrated currents as it is not limited by concentration polarization phenomena. New perspectives have enhanced research activities and allowed a deeper understanding of mass and heat transport phenomena, membrane wetting, polarization phenomena and have encouraged the use of materials particularly suitable for membrane distillation applications. This work summarizes recent developments in the field of membrane distillation, studies for module length optimization, commercial membrane modules developed, recent patents and advancement of membrane material.

关键词： membrane distillation     recent developments     heat and mass transfer     wetting     membrane material    

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Progress in membrane distillation crystallization: Process models, crystallization control and innovative

Xiaobin Jiang, Linghan Tuo, Dapeng Lu, Baohong Hou, Wei Chen, Gaohong He

《化学科学与工程前沿（英文）》 2017年 第11卷 第4期   页码 647-662 doi: 10.1007/s11705-017-1649-8

摘要： Membrane distillation crystallization (MDC) is a promising hybrid separation process that has been applied to seawater desalination, brine treatment and wastewater recovery. In recent years, great progress has been made in MDC technologies including the promotion of nucleation and better control of crystallization and crystal size distribution. These advances are useful for the accurate control of the degree of supersaturation and for the control of the nucleation kinetic processes. This review focuses on the development of MDC process models and on crystallization control strategies. In addition, the most important innovative applications of MDC in the last five years in crystal engineering and pharmaceutical manufacturing are summarized.

关键词： membrane distillation crystallization     mathematics model     nucleation     separation     hybrid process    

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A critical review on thermodynamic mechanisms of membrane fouling in membrane-based water treatment process

《环境科学与工程前沿（英文）》 2023年 第17卷 第10期 doi: 10.1007/s11783-023-1729-6

摘要：

● Fundamentals of membrane fouling are comprehensively reviewed.

关键词： Membrane fouling     Thermodynamic mechanism     XDLVO theory     Flory-Huggins theory     Fouling migration    

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A hybrid membrane process for simultaneous thickening and digestion of waste activated sludge

Zhiwei WANG, Qiaoying WANG, Zhichao WU, Xinhua WANG,

《环境科学与工程前沿（英文）》 2010年 第4卷 第3期   页码 272-279 doi: 10.1007/s11783-010-0234-x

摘要： A hybrid membrane process for simultaneous sludge thickening and digestion (MSTD) was studied. During one cycle (15 d) of operation under a hydraulic retention time of 1 d, the concentration of mixed liquor suspended solids (MLSS) continuously increased from about 4 g·L to 34 g·L, and the mixed liquor volatile suspended solids (MLVSS) increased from about 3 g·L to over 22 g·L. About 42% of the MLVSS and 39% of the MLSS reduction were achieved. The thickening and digestion effects in the MSTD were further analyzed based on a mass balance analysis. Test results showed that biopolymers and cations of biomass were gradually released to the bulk solution during the process. It was also found that the capillary suction time, colloidal chemical oxygen demand, soluble microbial products, viscosity, and MLSS had significant positive correlations with the membrane fouling rate, whereas extracellular polymeric substances, polysaccharides, and proteins extracted from biomass had negative impacts on membrane fouling.

关键词： membrane filtration     sludge digestion     sludge thickening     waste activated sludge    

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Hierarchical modeling of stochastic manufacturing and service systems

Zhe George ZHANG, Xiaoling YIN

《工程管理前沿（英文）》 2017年 第4卷 第3期   页码 295-303 doi: 10.15302/J-FEM-2017047

摘要： This paper presents a review of methodologies for analyzing stochastic manufacturing and service systems. On the basis of the scale and level of details of operations, we can study stochastic systems using micro-, meso-, and macro-scopic models. Such a classification unifies stochastic modeling theory. For each model type, we highlight the advantages and disadvantages and the applicable situations. Micro-scopic models are based on quasi-birth-and-death process because of the phase-type distributed service times and/or Markov arrival processes. Such models are appropriate for modeling the detailed operations of a manufacturing system with relatively small number of servers (production facilities). By contrast, meso-scopic and macro-scopic models are based on the functional central limit theorem (FCLT) and functional strong law of large numbers (FSLLN), respectively, under heavy-traffic regimes. These high-level models are appropriate for modeling large-scale service systems with many servers, such as call centers or large service networks. This review will help practitioners select the appropriate level of modeling to enhance their understanding of the dynamic behavior of manufacturing or service systems. Enhanced understanding will ensure that optimal policies can be designed to improve system performance. Researchers in operation analytics and optimization of manufacturing and logistics also benefit from such a review.

关键词： stochastic modeling     QBD process     PH distribution     heavy traffic limits     diffusion process    

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Analyzing the energy intensity and greenhouse gas emission of Canadian oil sands crude upgrading through processmodeling and simulation

Anton ALVAREZ-MAJMUTOV,Jinwen CHEN

《化学科学与工程前沿（英文）》 2014年 第8卷 第2期   页码 212-218 doi: 10.1007/s11705-014-1424-z

摘要： This paper presents an evaluation of the energy intensity and related greenhouse gas/CO emissions of integrated oil sands crude upgrading processes. Two major oil sands crude upgrading schemes currently used in Canadian oil sands operations were investigated: coking-based and hydroconversion-based. The analysis, which was based on a robust process model of the entire process, was constructed in Aspen HYSYS and calibrated with representative data. Simulations were conducted for the two upgrading schemes in order to generate a detailed inventory of the required energy and utility inputs: process fuel, steam, hydrogen and power. It was concluded that while hydroconversion-based scheme yields considerably higher amount of synthetic crude oil (SCO) than the coker-based scheme (94 wt-% vs. 76 wt-%), it consumes more energy and is therefore more CO -intensive (413.2 kg CO /m vs. 216.4 kg CO /m ). This substantial difference results from the large amount of hydrogen consumed in the ebullated-bed hydroconverter in the hydroconversion-based scheme, as hydrogen production through conventional methane steam reforming is highly energy-intensive and therefore the major source of CO emission. Further simulations indicated that optimization of hydroconverter operating variables had only a minor effect on the overall CO emission due to the complex trade-off effect between energy inputs.

关键词： Oil sands crude upgrading     hydroconversion     process modeling     greenhouse gas emissions    

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Purification and concentration of gluconic acid from an integrated fermentation and membrane process

Parimal Pal, Ramesh Kumar, Subhamay Banerjee

《化学科学与工程前沿（英文）》 2019年 第13卷 第1期   页码 152-163 doi: 10.1007/s11705-018-1721-z

摘要： A response surface method was used to optimize the purification and concentration of gluconic acid from fermentation broth using an integrated membrane system. was used for the bioconversion of the glucose in sugarcane juice to gluconic acid (concentration 45 g?L ) with a yield of 0.9 g?g . The optimum operating conditions, such as trans-membrane pressure (TMP), pH, cross-flow rate (CFR) and initial gluconic acid concentration, were determined using response surface methodology. Five different types of polyamide nanofiltration membranes were screened and the best performing one was then used for downstream purification of gluconic acid in a flat sheet cross-flow membrane module. Under the optimum conditions (TMP= 12 bar and CFR= 400 L?h ), this membrane retained more than 85% of the unconverted glucose from the fermentation broth and had a gluconic acid permeation rate of 88% with a flux of 161 L?m ?h . Using response surface methods to optimize this green nanofiltration process is an effective way of controlling the production of gluconic acid so that an efficient separation with high flux is obtained.

关键词： gluconic acid     optimized nanofiltration     green processing     process intensification    

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Modeling of Ce(IV) transport through a dispersion flat combined liquid membrane with carrier P507

Liang PEI,Liming WANG,Zhanying MA

《环境科学与工程前沿（英文）》 2014年 第8卷 第4期   页码 503-509 doi: 10.1007/s11783-013-0540-1

摘要： A mathematical model for the transport of Ce(IV) from hydrochloric acid solutions through dispersion flat combined liquid membrane (DFCLM) with contain 2-ethyl hexyl phosphonic acid-mono-2-ethyl hexyl ester (P507) as the carrier, dissolved in kerosene as the membrane solution have been studied. This process of facilitated transport, based on membrane technology, is a variation on the conventional technique of solvent extraction and may be described mathematically using Fick’s second law. The equations for transport velocity are derived considering the diffusion of P507 and its metallic complexes through the liquid membrane. In this work, the system is considered to be in a transient state, and chemical reaction between Ce(IV) and the carrier to take place only at the solvent–aqueous interfaces. Model concentration profiles are obtained for the Ce(IV), from which extraction velocities are predicted. The experimental and simulated Ce(IV) extractions showed similar tendencies for a high Ce(IV) concentration and acidity case.The model results indicate that high initial Ce(IV) concentrations and acidity both have detrimental effects on Ce(IV) extraction and stripping. The diffusion coefficient of Ce(IV) in the membrane and the thickness of diffusion layer between feed phase and membrane phase are obtained and the values are 6.31 × 10 m ·s and 31.2 μm, respectively. The results are in good agreement with experimental results.

关键词： Dispersion flat combined liquid membrane (DFCLM)     dispersion phase     feed phase     2-ethyl hexyl phosphonic acid-mono-2-ethyl hexyl ester     Ce (IV)    

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Techno-economic characteristics of wastewater treatment plants retrofitted from the conventional activated sludge processto the membrane bioreactor process

《环境科学与工程前沿（英文）》 doi: 10.1007/s11783-021-1483-6

摘要：

While a growing number of wastewater treatment plants (WWTPs) are being retrofitted from the conventional activated sludge (CAS) process to the membrane bioreactor (MBR) process, the debate on the techno-economy of MBR vs. CAS has continued and calls for a thorough assessment based on techno-economic valuation.

关键词： Membrane bioreactor (MBR)     Conventional activated sludge (CAS)     Cost-benefit analysis     Data envelopment analysis     Net profit    

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A neural network-based production process modeling and variable importance analysis approach in corn

《化学科学与工程前沿（英文）》 2023年 第17卷 第3期   页码 358-371 doi: 10.1007/s11705-022-2190-y

摘要： Corn to sugar process has long faced the risks of high energy consumption and thin profits. However, it’s hard to upgrade or optimize the process based on mechanism unit operation models due to the high complexity of the related processes. Big data technology provides a promising solution as its ability to turn huge amounts of data into insights for operational decisions. In this paper, a neural network-based production process modeling and variable importance analysis approach is proposed for corn to sugar processes, which contains data preprocessing, dimensionality reduction, multilayer perceptron/convolutional neural network/recurrent neural network based modeling and extended weights connection method. In the established model, dextrose equivalent value is selected as the output, and 654 sites from the DCS system are selected as the inputs. LASSO analysis is first applied to reduce the data dimension to 155, then the inputs are dimensionalized to 50 by means of genetic algorithm optimization. Ultimately, variable importance analysis is carried out by the extended weight connection method, and 20 of the most important sites are selected for each neural network. The results indicate that the multilayer perceptron and recurrent neural network models have a relative error of less than 0.1%, which have a better prediction result than other models, and the 20 most important sites selected have better explicable performance. The major contributions derived from this work are of significant aid in process simulation model with high accuracy and process optimization based on the selected most important sites to maintain high quality and stable production for corn to sugar processes.

关键词： big data     corn to sugar factory     neural network     variable importance analysis    

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膜结晶过程强化与控制研究进展 Review

姜晓滨, 邵钰珊, 盛磊, 李培钰, 贺高红

《工程（英文）》 2021年 第7卷 第1期   页码 50-62 doi: 10.1016/j.eng.2020.06.024

摘要：

结晶是用于固体颗粒制备的基本分离技术，其中成核和生长过程的精确调控至关重要。目前，发展同时增强整个结晶过程的新型控制技术仍然面临巨大挑战。膜结晶（MCr）是一种新兴耦合技术，近年来取得了长足的进步，有望实现上述目标。本文综述了MCr的基本概念及其在结晶控制和过程强化中的应用前景，对MCr用的关键膜材料、过程控制机制以及基于多种混合膜和结晶工艺的优化策略进行简述。最后，概述了将MCr技术推广到工业应用的尝试，以及需要解决的问题和研究方向。

关键词： 膜结晶     成核     过程控制     过程强化    

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Pressure swing adsorption/membrane hybrid processes for hydrogen purification with a high recovery

Baojun Li,Gaohong He,Xiaobin Jiang,Yan Dai,Xuehua Ruan

《化学科学与工程前沿（英文）》 2016年 第10卷 第2期   页码 255-264 doi: 10.1007/s11705-016-1567-1

摘要： Hydrogen was recovered and purified from coal gasification-produced syngas using two kinds of hybrid processes: a pressure swing adsorption (PSA)-membrane system (a PSA unit followed by a membrane separation unit) and a membrane-PSA system (a membrane separation unit followed by a PSA unit). The PSA operational parameters were adjusted to control the product purity and the membrane operational parameters were adjusted to control the hydrogen recovery so that both a pure hydrogen product (>99.9%) and a high recovery (>90%) were obtained simultaneously. The hybrid hydrogen purification processes were simulated using HYSYS and the processes were evaluated in terms of hydrogen product purity and hydrogen recovery. For comparison, a PSA process and a membrane separation process were also used individually for hydrogen purification. Neither process alone produced high purity hydrogen with a high recovery. The PSA-membrane hybrid process produced hydrogen that was 99.98% pure with a recovery of 91.71%, whereas the membrane-PSA hybrid process produced hydrogen that was 99.99% pure with a recovery of 91.71%. The PSA-membrane hybrid process achieved higher total H recoveries than the membrane-PSA hybrid process under the same H recovery of membrane separation unit. Meanwhile, the membrane-PSA hybrid process achieved a higher total H recovery (97.06%) than PSA-membrane hybrid process (94.35%) at the same H concentration of PSA feed gas (62.57%).

关键词： hydrogen purification     PSA     membrane separation     hybrid process    

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Electrocoagulation process for the treatment of metal-plating wastewater: Kinetic modeling and energy

Fatih Ilhan, Kubra Ulucan-Altuntas, Yasar Avsar, Ugur Kurt, Arslan Saral

《环境科学与工程前沿（英文）》 2019年 第13卷 第5期 doi: 10.1007/s11783-019-1152-1

摘要： The wastewater from industrial area was treated by EC via Fe and Al electrodes. Cu, Ni, Cr and Zn were highly removed at the first minutes, simultaneously. Pseudo-2nd-order was found to be more suitable for kinetics. Adsorption capacities based on kinetic modeling were observed as Cr>Cu>Ni>Zn. The chemical cost in the case of pH adjustment after EC was less as 3.83 $/m3. It is known that wastewater produced by the metal-plating industry contains several heavy metals, which are acidic in nature and therefore toxic for the environment and for living creatures. In particular, heavy metals enter the food chain and accumulate in vital organs and cause serious illness. The precipitation of these metals is mostly achieved by pH adjustment, but as an alternative to this method, the electrocoagulation process has investigated in this study using iron and aluminum electrodes. The effects of the pH adjustment on removal before and after the electrocoagulation process were investigated, and cost analyses were also compared. It was observed that a high proportion of removal was obtained during the first minutes of the electrocoagulation process; thus, the current density did not have a great effect. In addition, the pH adjustment after the electrocoagulation process using iron electrodes, which are 10% more effective than aluminum electrodes, was found to be much more efficient than before the electrocoagulation process. In the process where kinetic modeling was applied, it was observed that the heavy metal removal mechanism was not solely due to the collapse of heavy metals at high pH values, and with this modeling, it was seen that this mechanism involved adsorption by iron and aluminum hydroxides formed during the electrocoagulation process. When comparing the ability of heavy metals to be adsorbed, the sequence was observed to be Cr>Cu>Ni>Zn, respectively.

关键词： Electrochemical treatment     Heavy metals     Kinetic modeling     Pseudo first order kinetic     Pseudo second order kinetic    

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Performance of bioferric-submerged membrane bioreactor for dyeing wastewater treatment

ZOU Haiyan, XI Danli

《环境科学与工程前沿（英文）》 2007年 第1卷 第3期   页码 374-380 doi: 10.1007/s11783-007-0064-7

摘要： Adding iron salt or iron hydroxide to sludgemixed liquor in an aeration tank of a conventional activated sludge processes (bioferric process) can simultaneously improve the sludge s filterability and enhance the system s treatment capacity. In view of this, Fe(OH) was added to a submerged membrane bioreactor (SMBR) to enhance the removal efficiency and to mitigate membrane fouling. Bioferric process and SMBR were combined to create a novel process called Bioferric-SMBR. A side-by-side comparison study of Bioferric-SMBR and common SMBR dealing with dyeing wastewater was carried out. Bioferric-SMBR showed potential superiority, which could enhance removal efficiency, reduce membrane fouling and improve sludge characteristic. When volumetric loading rate was 25% higher than that of common SMBR, the removal efficiencies of Bioferric-SMBR on COD, dye, and NH-N were 1.0%, 9.5%, and 5.2% higher than that of common SMBR, respectively. The trans-membrane pressure of Bioferric-SMBR was only 36% of that in common SMBR while its membrane flux was 25% higher than that of common SMBR. The stable running period in Bioferric-SMBR was 2.5 times of that in common SMBR when there was no surplus sludge discharged. The mixed liquor suspended solids concentration of Bioferric-SMBR was higher than that of common SMBR with more diversified kinds of microorganisms such as protozoans and metazoans. The mean particle diameter and specific oxygen uptake rate of Bioferric-SMBR were 3.10 and 1.23 times the common SMBR, respectively.

关键词： hydroxide     surplus     aeration     SMBR     Bioferric process    

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标题 作者 时间 类型 操作

Integration of molecular dynamic simulation and free volume theory for modeling membrane VOC/gas separation

Bo Chen, Yan Dai, Xuehua Ruan, Yuan Xi, Gaohong He

期刊论文

A review on membrane distillation in process engineering: design and exergy equations, materials and

期刊论文

Progress in membrane distillation crystallization: Process models, crystallization control and innovative

Xiaobin Jiang, Linghan Tuo, Dapeng Lu, Baohong Hou, Wei Chen, Gaohong He

期刊论文

A critical review on thermodynamic mechanisms of membrane fouling in membrane-based water treatment process

期刊论文

A hybrid membrane process for simultaneous thickening and digestion of waste activated sludge

Zhiwei WANG, Qiaoying WANG, Zhichao WU, Xinhua WANG,

期刊论文

Hierarchical modeling of stochastic manufacturing and service systems

Zhe George ZHANG, Xiaoling YIN

期刊论文

Analyzing the energy intensity and greenhouse gas emission of Canadian oil sands crude upgrading through processmodeling and simulation

Anton ALVAREZ-MAJMUTOV,Jinwen CHEN

期刊论文

Purification and concentration of gluconic acid from an integrated fermentation and membrane process

Parimal Pal, Ramesh Kumar, Subhamay Banerjee

期刊论文

Modeling of Ce(IV) transport through a dispersion flat combined liquid membrane with carrier P507

Liang PEI,Liming WANG,Zhanying MA

期刊论文

Techno-economic characteristics of wastewater treatment plants retrofitted from the conventional activated sludge processto the membrane bioreactor process

期刊论文

A neural network-based production process modeling and variable importance analysis approach in corn

期刊论文

膜结晶过程强化与控制研究进展

姜晓滨, 邵钰珊, 盛磊, 李培钰, 贺高红

期刊论文

Pressure swing adsorption/membrane hybrid processes for hydrogen purification with a high recovery

Baojun Li,Gaohong He,Xiaobin Jiang,Yan Dai,Xuehua Ruan

期刊论文

Electrocoagulation process for the treatment of metal-plating wastewater: Kinetic modeling and energy

Fatih Ilhan, Kubra Ulucan-Altuntas, Yasar Avsar, Ugur Kurt, Arslan Saral

期刊论文

Performance of bioferric-submerged membrane bioreactor for dyeing wastewater treatment

ZOU Haiyan, XI Danli

期刊论文