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Synergistic optimization framework for the process synthesis and design of biorefineries

《化学科学与工程前沿（英文）》 2022年 第16卷 第2期   页码 251-273 doi: 10.1007/s11705-021-2071-9

摘要： The conceptual process design of novel bioprocesses in biorefinery setups is an important task, which remains yet challenging due to several limitations. We propose a novel framework incorporating superstructure optimization and simulation-based optimization synergistically. In this context, several approaches for superstructure optimization based on different surrogate models can be deployed. By means of a case study, the framework is introduced and validated, and the different superstructure optimization approaches are benchmarked. The results indicate that even though surrogate-based optimization approaches alleviate the underlying computational issues, there remains a potential issue regarding their validation. The development of appropriate surrogate models, comprising the selection of surrogate type, sampling type, and size for training and cross-validation sets, are essential factors. Regarding this aspect, satisfactory validation metrics do not ensure a successful outcome from its embedded use in an optimization problem. Furthermore, the framework’s synergistic effects by sequentially performing superstructure optimization to determine candidate process topologies and simulation-based optimization to consolidate the process design under uncertainty offer an alternative and promising approach. These findings invite for a critical assessment of surrogate-based optimization approaches and point out the necessity of benchmarking to ensure consistency and quality of optimized solutions.

关键词： biotechnology     surrogate modelling     superstructure optimization     simulation-based optimization     process design    

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Automated synthesis of steady-state continuous processes using reinforcement learning

《化学科学与工程前沿（英文）》 2022年 第16卷 第2期   页码 288-302 doi: 10.1007/s11705-021-2055-9

摘要： Automated flowsheet synthesis is an important field in computer-aided process engineering. The present work demonstrates how reinforcement learning can be used for automated flowsheet synthesis without any heuristics or prior knowledge of conceptual design. The environment consists of a steady-state flowsheet simulator that contains all physical knowledge. An agent is trained to take discrete actions and sequentially build up flowsheets that solve a given process problem. A novel method named SynGameZero is developed to ensure good exploration schemes in the complex problem. Therein, flowsheet synthesis is modelled as a game of two competing players. The agent plays this game against itself during training and consists of an artificial neural network and a tree search for forward planning. The method is applied successfully to a reaction-distillation process in a quaternary system.

关键词： automated process synthesis     flowsheet synthesis     artificial intelligence     machine learning     reinforcement learning    

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Process synthesis with simultaneous consideration of inherent safety-inherent risk footprint

Andreja Nemet, Jiří J. Klemeš, Zdravko Kravanja

《化学科学与工程前沿（英文）》 2018年 第12卷 第4期   页码 745-762 doi: 10.1007/s11705-018-1779-7

摘要：

Process plants should be designed to be economically viable and environmentally friendly, while also being operable and maintainable during process implementation. The safety of processes is among the most important considerations in obtaining results that are more acceptably realistic, as it is linked to the availability and reliability of the process. Inherent safety can effectively be enhanced in the early stages of the design, when the main decisions on process design are made. The aim of this study is to enhance and select the appropriate risk assessment method and to incorporate it into process synthesis, using a mathematical programming approach. A mixed-integer, nonlinear programming (MINLP) model was used for the synthesis of a methanol production process, considering risk assessment during the synthesis. Risk assessment is performed simultaneously with the MINLP process synthesis, where the risk is determined either for the whole process as overall risk, or on a per unit-of-a-product basis. For the latter, a new measurement is proposed: the inherent risk footprint. The results of a case study led to two main conclusions: (i) Significantly safer designs can be obtained at negligible economic expense, and (ii) at higher production capacities, a lower inherent risk footprint can be achieved. The results also indicate that designs obtained using this method can have significantly increased inherent safety, while remaining economically viable.

关键词： inherent safety     process design     simultaneous risk assessment     risk footprint     methanol process    

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Study on direct alcohol/ether fuel synthesis process in bubble column slurry reactor

Zhen CHEN, Haitao ZHANG, Weiyong YING, Dingye FANG

《化学科学与工程前沿（英文）》 2010年 第4卷 第4期   页码 461-471 doi: 10.1007/s11705-010-0517-6

摘要： The recent studies of direct alcohol/ether synthesis process in slurry reactors were reviewed, and the research work in our laboratory was carried out in this paper. a global kinetics model for direct dimethyl ether (DME) synthesis from syngas over a novel Cu-Zn-Al-Zr slurry catalyst was established according to the total of 25 experimental data, and a steady-state one-dimensional mathematical model was further developed in bubble column slurry reactor (BCSR), which was assumed that the bubble phase was plug flow, and the liquid phase was fully mixed flow. The numerical simulations of reactor design of 100000 t/a dimethyl ether pilot plant indicate that higher pressure and lower temperature were favorable to the increase of CO conversion, selectivity of dimethyl ether, product yield and height of slurry bed. The optimal operating conditions for DME synthesis process were obtained: reaction temperature at 240°C, reactor pressure at 5 MPa and reactor diameter of 2.5 m.

关键词： syngas     alcohol/ether fuel     slurry catalyst     bubble column slurry reactor     global kinetics     mathematical model    

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MILP synthesis of separation processes for waste oil-in-water emulsions treatment

Zorka N. Pintarič,Gorazd P. Škof,Zdravko Kravanja

《化学科学与工程前沿（英文）》 2016年 第10卷 第1期   页码 120-130 doi: 10.1007/s11705-016-1559-1

摘要： This paper presents a novel synthesis method for designing integrated processes for oil-in-water (O/W) emulsions treatment. General superstructure involving alternative separation technologies is developed and modelled as a mixed integer linear programming (MILP) model for maximum annual profit. Separation processes in the superstructure are divided into three main sections of which the pretreatment and final treatment are limited to the selection of one alternative (or bypass) only, while within the intermediate section various combinations of different technologies in series can be selected. Integrated processes composed of selected separation techniques for given ranges of input chemical oxygen demand (COD) can be proposed by applying parametric analyses within the superstructure approach. This approach has been applied to an existing industrial case study for deriving optimal combinations of technologies for treating diverse oil-in-water emulsions within the range of input COD values between 1000 mg?L and 145000 mg?L . The optimal solution represents a flexible and profitable process for reducing the COD values below maximal allowable limits for discharging effluent into surface water.

关键词： oil-in-water emulsion     chemical oxygen demand     superstructure     process synthesis     MILP    

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Effects of the SAPO-11 synthetic process on dehydration of ethanol to ethylene

Lina WU, Xiaoxing SHI, Qun CUI, Haiyan WANG, He HUANG

《化学科学与工程前沿（英文）》 2011年 第5卷 第1期   页码 60-66 doi: 10.1007/s11705-010-0540-7

摘要： The effects of the synthetic condition of SAPO-11 molecular sieves on ethanol dehydration to ethylene were studied. Product-compositions, ethanol conversion, and selectivity to ethylene of synthesized and commercial SAPO-11 molecular sieves were compared. Results are as follows: the optimal synthetic conditions for SAPO-11 molecular sieves are adding pseudoboehmite before orthophoshporic, using di-n- propylamine as the template, having a mass fraction of 40% colloidal silica as the silica source and the starting gel obtained, and running at 200°C for 48 h. From the patterns of NH -TPD, the amount of acid synthesized by SAPO-11 molecular sieves is less than that by commercial SAPO-11 molecular sieves, and has a stronger weak acid. Also, ethanol conversion and selectivity to ethylene reached 99% at 280°C on synthesized SAPO-11, lower by 20°C compared to commercial SAPO-11. For two SAPO-11 molecular sieves, the by-products in the gas phase are mainly ethane, propane, propene, isobutane, n-butane, propadiene, butylene and some higher hydrocarbons. The by-products in the liquid phase are ethyl ether and acetaldehyde.

关键词： SAPO-11 molecular sieves     synthesis     ethanol     ethylene     dehydration    

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NICE’s Indirect Coal-to-Liquid Process for Producing Clean Transportation Fuels Using Fischer-TropschSynthesis

Omar M. Basha,Li Weng,Zhuo-wu Men,Wayne Xu,Badie I. Morsi

《工程管理前沿（英文）》 2016年 第3卷 第4期   页码 362-376 doi: 10.15302/J-FEM-2016049

摘要： China is currently the world’s top coal consumer and the largest oil importer to sustain its rising economy and meet the mounting demand for transportation fuels. However, the increasing emissions due to the huge fossil fuels consumption, coupled with oil market instability, could derail China’s economic growth and jeopardize its national energy security. To face such a hurdle, China has been aggressively supporting low-carbon businesses opportunuties over the past decade, has recently announced several plans to cap coal utilization, and is currently the biggest investor in clean energy technologies. Coal-to-Liquid (CTL) is one of the most promising clean coal technologies, offering an ideal solution that can meet China’s energy demands and environmental expectations. It is widely known that the Shenhua Group has pioneered and is currently leading the commercialization of the Direct Coal Liquefaction (DCL) process in China. This paper highlights a part of the joint research effort undertaken by the National Institute of Clean-and-Low-Carbon Energy (NICE) and University of Pittsburgh in order to develop and commercialize the Indirect Coal Liquefaction (ICL) process. In this mission, NICE has built and operated an ICL plant including a large-scale (5.8-m ID and 30-m height) Slurry-Bubble-Column Reactor (SBCR) for Fischer-Tropsch synthesis using iron catalyst. The research, conducted at the University of Pittsburgh over the past few years, allowed building a user-friendly Simulator, based on a comprehensive SBCR model integrated with Aspen Plus and is validated using data from the NICE actual ICL plant. In this paper, the Simulator predictions of the performance of the NICE SBCR, operating with iron and cobalt catalysts under four different tail gas recycle strategies: (1) direct recycle; (2) using a Pressure Swing Adsorption (PSA) unit; (3) using a reformer; and (4) using a Chemical looping Combustion (CLC) process, are presented. It should be mentioned also that our joint research effort has laid the foundation for the design of a commercial-scale SBCR for producing one-million tons per annum of environmentally friendly and ultraclean (no sulfur, no nitrogen and virtually no aromatics) transportation fuels, which could greatly contribute to ensuring China’s national energy security while curbing its lingering emission problems.

关键词： Fischer-Tropsch synthesis     tail gas recycle     simulations     process design    

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An efficient technique for improving methanol yield using dual CO

Yang Su, Liping Lü, Weifeng Shen, Shun’an Wei

《化学科学与工程前沿（英文）》 2020年 第14卷 第4期   页码 614-628 doi: 10.1007/s11705-019-1849-5

摘要： Abstract Steam methane reforming (SMR)-based methanol synthesis plants utilizing a single CO2 feed represent one of the predominant technologies for improving methanol yield and CO2 utilization. However, SMR alone cannot achieve full CO2 utilization, and a high water content accumulates if CO2 is only fed into the methanol reactor. In this study, a process integrating SMR with dry methane reforming to improve the conversion of both methane and CO2 is proposed. We also propose an innovative methanol production approach in which captured CO2 is introduced into both the SMR process and the recycle gas of the methanol synthesis loop. This dual CO2 feed approach aims to optimize the stoichiometric ratio of the reactants. Comparative evaluations are carried out from a techno-economic point of view, and the proposed process is demonstrated to be more efficient in terms of both methanol productivity and CO2 utilization than the existing stand-alone natural gas-based methanol process.

关键词： methanol synthesis     CO2 utilization     dry methane reforming     steam methane reforming     process design    

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不确定条件下采用精确参数规划的非线性模型过程操作

Vassilis M. Charitopoulos,Lazaros G. Papageorgiou,Vivek Dua

《工程（英文）》 2017年 第3卷 第2期   页码 202-213 doi: 10.1016/J.ENG.2017.02.008

摘要：

本文提出了新的两(多) 参数规划(mp-P) 启发算法以求解混合整数非线性规划(MINLP) 问题，并着重说明了算法在过程综合问题中的应用。对于因对数项导致的非线性，开发了针对确定性问题的参数算法(p-MINLP)。关键之处是通过将二进制变量和(或) 不确定参数作为符号参数重新生成和求解一阶Karush Kuhn Tucker(KKT) 系统的解析表达式。为此，采用了符号处理和求解技术。为了证明所提出的算法的适用性和有效性，对两个过程综合案例研究进行了验证，相应的结果经最新的数值MINLP 求解器验证是有效的。对于p-MINLP，给出了不确定参数的显函数表示的最优解。

关键词： 参数规划     不确定性     过程综合     混合整数非线性规划     符号操作    

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Effect of potassium carbonate on catalytic synthesis of calcium carbide at moderate temperature

Dejun SHI, Ke QIAO, Zifeng YAN

《化学科学与工程前沿（英文）》 2011年 第5卷 第3期   页码 372-375 doi: 10.1007/s11705-010-0570-1

摘要： Calcium carbide was successfully synthesized by carbothermal reduction of lime with coke at 1973 K for 1.5 h. The effect of potassium carbonate as additive on the composition and morphology of the product was investigated using X-ray diffraction and scanning electron microscope. Addition of potassium carbonate increased the yield of calcium carbide. The sample in the presence of potassium carbonate generated acetylene gas of 168.3 L/kg, which was 10% higher than that in the absence of potassium carbonate. This result confirmed the catalytic effect of potassium carbonate on the synthesis of calcium carbide. A possible mechanism of the above effects was that the additive, which was melted at the reduction temperature, dissolved CaO and so promoted the contact between CaO and carbon, which was essential for the solid-solid reaction to form calcium carbide.

关键词： calcium carbide     synthesis     catalysis    

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Study on a green synthesis of

Aixin WANG, Yuanbin SHE, Jing FAN

《化学科学与工程前沿（英文）》 2009年 第3卷 第2期   页码 219-221 doi: 10.1007/s11705-009-0058-z

摘要： A novel method for the synthesis of -oxo-bis[tetraarylporphyrinatoiron] ([TRPPFe] O) based on the reaction between tetraarylporphyrinironchloride (TRPPFeCl) and H O in toluene was investigated in this paper. Three kinds of [TRPPFe] O were synthesized by this novel synthetic method, and their structures were characterized by elemental analysis, IR spectra and UV-Vis spectroscopy.

关键词： μ-oxo-bis[tetraarylphenylporphinatoiron]     green synthesis     water    

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Advantageous mechanochemical synthesis of copper(I) selenide semiconductor, characterization, and properties

《化学科学与工程前沿（英文）》 2022年 第16卷 第3期   页码 433-442 doi: 10.1007/s11705-021-2066-6

摘要： Copper(I) selenide-nanocrystalline semiconductor was synthesized via one-step mechanochemical synthesis after 5 min milling in a planetary ball mill. The kinetics of synthesis was followed by X-ray powder diffraction analysis and specific surface area measurements of milled 2Cu/Se mixtures. The X-ray diffraction confirmed the orthorhombic crystal structure of Cu2Se with the crystallite size ~25 nm. The surface chemical structure was studied by X-ray photoelectron spectroscopy, whereby the binding energy of the Cu 2p and Se 3d signals corresponded to Cu+ and Se2– oxidation states. Transmission electron microscopy revealed agglomerated nanocrystals and confirmed their orthorhombic structure, as well. The optical properties were studied utilizing ultraviolet-visible spectroscopy and photoluminescence spectroscopy. The direct bandgap energy 3.7 eV indicated a blue-shift phenomenon due to the quantum size effect. This type of Cu2Se synthesis can be easily adapted to production dimensions using an industrial vibratory mill. The advantages of mechanochemical synthesis represent the potential for inexpensive, environmentally-friendly, and waste-free manufacturing of Cu2Se.

关键词： Cu2Se     berzelianite     nanocrystalline semiconductor     mechanochemical synthesis     planetary ball mill    

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Biomass to dimethyl ether by gasification/synthesis technology

Tiejun WANG, Yuping LI, Longlong MA, Chuangzhi WU

《能源前沿（英文）》 2011年 第5卷 第3期   页码 330-339 doi: 10.1007/s11708-010-0121-y

摘要： Technical and economic analysis was done for the biomass to dimethyl ether (DME) technology to promote the gasification/synthesis route for biofuel production and its application as a fossil fuel substitute. The technology of biomass gasification/synthesis has obvious advantages, including production flexibility, environmental friendliness, economic feasibility, and application versatility. Biomass gasification/synthesis technology integrates bio-DME synthesis, fertilizer production, electricity generation, and waste heat utilization to convert waste biomass residues to DME for use as liquid petroleum gas, transportation fuel substitute, and chemical intermediates, which has been proven to be one of the most effective and clean biomass utilization routes. The 1000 t/a-scale demonstration plant has a bio-DME production rate of 6 to 7 / , biomass gasification efficiency of≥82%, once-through CO conversion of ≥70%, DME selectivity (DME/DME+other organic products) of ≥90%, and a total system efficiency of ≥38%. The demonstration plant also has self-sufficient steam and electricity supply. The 10,000tons/a-scale bio-DME production cost with or without feedstock subsidy is estimated to be 1968 Yuan/t and 2868 Yuan/t, respectively in China. Because of the limitation in biomass feedstock collection cost, massive and disperse commercial plants with a capacity of 10000 t/a bio-DME are more suitable for rural areas.

关键词： technical and economic analysis     biomass     dimethyl ether     gasification/synthesis    

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Multi-resolution texture synthesis from turntable image sequences

Xuedong WANG, Xiaojun WU, Xiaorong ZHANG

《机械工程前沿（英文）》 2012年 第7卷 第1期   页码 72-80 doi: 10.1007/s11465-012-0305-8

摘要：

Texture synthesis and texture mapping are important technologies for rendering realistic three-dimensional scene. It has been widely used in virtual reality, urban modeling, 3D animation, gaming and other areas. In this paper, we propose a fast method to construct high quality texture map for multi-resolution texture synthesis from turntable image sequences. Given a 3D mesh model, we first get the projection relationship between 3D mesh and image sequences. We then use image sequences to construct a texture triangle for each 3D triangle mesh and get a global rectangular texture map for the whole mesh. Another approach to construct a texture map is using Stretch-minimizing mesh parameterization. Finally, we map the texture to mesh model to verify the quality of these two methods. The high performance of this method has been demonstrated in many real object models.

关键词： texture synthesis     multi-resolution     texture map     texture mapping    

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Kinematical synthesis of an inversion of the double linked fourbar for morphing wing applications

J. AGUIRREBEITIA, R. AVILéS, I. FERNáNDEZ, M. ABASOLO

《机械工程前沿（英文）》 2013年 第8卷 第1期   页码 17-32 doi: 10.1007/s11465-013-0364-5

摘要：

This paper presents the kinematical features of an inversion of the double linked fourbar for morphing wing purposes. The structure of the mechanism is obtained using structural synthesis concepts, from an initial conceptual schematic. Then, kinematic characteristics as instant center of rotation, lock positions, dead point positions and uncertainty positions are derived for this mechanism in order to face the last step, the dimensional synthesis; in this sense, two kinds of dimensional synthesis are arranged to guide the wing along two positions, and to fulfill with the second one some aerodynamic and minimum actuation energy related issues.

关键词： morphing wing     structural synthesis     dimensional synthesis     geometrical kinematics    

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标题 作者 时间 类型 操作

Synergistic optimization framework for the process synthesis and design of biorefineries

期刊论文

Automated synthesis of steady-state continuous processes using reinforcement learning

期刊论文

Process synthesis with simultaneous consideration of inherent safety-inherent risk footprint

Andreja Nemet, Jiří J. Klemeš, Zdravko Kravanja

期刊论文

Study on direct alcohol/ether fuel synthesis process in bubble column slurry reactor

Zhen CHEN, Haitao ZHANG, Weiyong YING, Dingye FANG

期刊论文

MILP synthesis of separation processes for waste oil-in-water emulsions treatment

Zorka N. Pintarič,Gorazd P. Škof,Zdravko Kravanja

期刊论文

Effects of the SAPO-11 synthetic process on dehydration of ethanol to ethylene

Lina WU, Xiaoxing SHI, Qun CUI, Haiyan WANG, He HUANG

期刊论文

NICE’s Indirect Coal-to-Liquid Process for Producing Clean Transportation Fuels Using Fischer-TropschSynthesis

Omar M. Basha,Li Weng,Zhuo-wu Men,Wayne Xu,Badie I. Morsi

期刊论文

An efficient technique for improving methanol yield using dual CO

Yang Su, Liping Lü, Weifeng Shen, Shun’an Wei

期刊论文

不确定条件下采用精确参数规划的非线性模型过程操作

Vassilis M. Charitopoulos,Lazaros G. Papageorgiou,Vivek Dua

期刊论文

Effect of potassium carbonate on catalytic synthesis of calcium carbide at moderate temperature

Dejun SHI, Ke QIAO, Zifeng YAN

期刊论文

Study on a green synthesis of

Aixin WANG, Yuanbin SHE, Jing FAN

期刊论文

Advantageous mechanochemical synthesis of copper(I) selenide semiconductor, characterization, and properties

期刊论文

Biomass to dimethyl ether by gasification/synthesis technology

Tiejun WANG, Yuping LI, Longlong MA, Chuangzhi WU

期刊论文

Multi-resolution texture synthesis from turntable image sequences

Xuedong WANG, Xiaojun WU, Xiaorong ZHANG

期刊论文

Kinematical synthesis of an inversion of the double linked fourbar for morphing wing applications

J. AGUIRREBEITIA, R. AVILéS, I. FERNáNDEZ, M. ABASOLO

期刊论文