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< Page ,Total 19 >
Dual-objective chemical production planning by graphical-tabular Pinch Analysis for sustainable methanol industry in China EI SSCI SCIE
期刊论文 | 2018 , 186 , 978-987 | JOURNAL OF CLEANER PRODUCTION
WoS CC Cited Count: 1
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Abstract :

The overall top-layer design for chemical production, carbon emission and production cost is significant for the sustainable development of chemical industry. Industrial structure adjustment and low-carbon technology retrofit are generally served as the alternatives for policymakers and plants to simultaneously meet the energy demand and carbon emission limit. To further extend the practical application of Carbon Emission Pinch Analysis (CEPA) for low-carbon methanol production planning on the supply side, this paper presents four scenarios for the methanol industry in 2020 in China. A graphical method of Chemical Production Pinch Analysis (CPPA) combining with the first-order and single-variable grey model (GM(1,1)) is conducted to analyze the interaction between energy demand and carbon emission. A two-step tabular method is also proposed to search the optimal planning for achieving the minimum production cost and CO2 emission. The results show that the coal-to-methanol route would continually dominate the major share of methanol supply and CO2 emission in the overall methanol industry due to the energy structure of China. Options of developing biomass-methanol technology, shifting the production share from coal to low-carbon routes and retrofitting with CO2 capture and storage (CCS) in coal methanol plants could be considered to simultaneously achieve the targets of energy supply, carbon emission constraint and minimum production cost. (C) 2018 Elsevier Ltd. All rights reserved.

Keyword :

CO2 emission constraint Methanol Chemical production planning GM(1,1) Minimum cost

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GB/T 7714 Qin, Zhen , Tang, Kai , Yu, Yunsong et al. Dual-objective chemical production planning by graphical-tabular Pinch Analysis for sustainable methanol industry in China [J]. | JOURNAL OF CLEANER PRODUCTION , 2018 , 186 : 978-987 .
MLA Qin, Zhen et al. "Dual-objective chemical production planning by graphical-tabular Pinch Analysis for sustainable methanol industry in China" . | JOURNAL OF CLEANER PRODUCTION 186 (2018) : 978-987 .
APA Qin, Zhen , Tang, Kai , Yu, Yunsong , Zhang, Zaoxiao . Dual-objective chemical production planning by graphical-tabular Pinch Analysis for sustainable methanol industry in China . | JOURNAL OF CLEANER PRODUCTION , 2018 , 186 , 978-987 .
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Effects of non-aqueous solvents on CO2 absorption in monoethanolamine: Ab initio calculations EI SCIE Scopus
期刊论文 | 2018 , 44 (10) , 815-825 | MOLECULAR SIMULATION
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Abstract :

Monoethanolamine (MEA) is the most typical alkanolamine and its aqueous solutions are widely used for CO2 absorption with mature technology, but the regeneration process is energy consuming. To reduce the energy demand, non-aqueous solvents, such as methanol and ethanol are proposed to substitute water in amine solutions. To understand the influence of the aqueous and non-aqueous solvents on CO2 capture process, the chemical reactions of MEA absorbing CO2 were conducted via ab initio calculations. The non-aqueous solvents discussed in this paper are methanol, ethanol, 1-propanol and 2-propanol. The reaction patterns were investigated and energy barriers were observed. The results show that zwitterion formation and the followed intermolecular hydrogen transfer are proven to be the most possible reaction pattern in both aqueous and non-aqueous solvents. The energy analysis shows that the forward reaction energy barriers increase while the backward barriers decrease as the solvent changes from water to methanol, ethanol, 1-propanol and 2-propanol in turn. The decreases of the energy barriers for backward processes are much higher than the corresponding increases for forward processes. These results indicate that lower energies are required in non-aqueous solvents than in water during the desorption reactions and the non-aqueous solvents are very promising to reduce the regeneration energy consumption in MEA capturing CO2 process. Moreover, the reaction energy gaps between different solvation effects were found to have linear relationship with the logarithm of the dielectric constant difference, which could provide an easy way to theoretically predict the reaction energies of monoethanolamine absorbing CO2 in other solvation effect and can be used to screen appropriate CO2 capture solvent.

Keyword :

energy gaps molecular simulation CO2 absorption dielectric constant non-aqueous solvation effect

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GB/T 7714 Zhang, Tingting , Yu, Yunsong , Zhang, Zaoxiao . Effects of non-aqueous solvents on CO2 absorption in monoethanolamine: Ab initio calculations [J]. | MOLECULAR SIMULATION , 2018 , 44 (10) : 815-825 .
MLA Zhang, Tingting et al. "Effects of non-aqueous solvents on CO2 absorption in monoethanolamine: Ab initio calculations" . | MOLECULAR SIMULATION 44 . 10 (2018) : 815-825 .
APA Zhang, Tingting , Yu, Yunsong , Zhang, Zaoxiao . Effects of non-aqueous solvents on CO2 absorption in monoethanolamine: Ab initio calculations . | MOLECULAR SIMULATION , 2018 , 44 (10) , 815-825 .
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Determining the Interactive Effects in CO2 Capture Integrated with Coal Flotation by High-Order Multifield Synergy Model EI SCIE Scopus
期刊论文 | 2018 , 57 (7) , 2645-2657 | INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
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Abstract :

CO2 capture is very essential to mitigate the greenhouse gas control. However, the CO2 desorption is quite costly during CO2 capture. To reduce the cost, the CO2 desorption integrated with coal flotation was developed as a retrofitted process, which can simultaneously achieve the CO2 desorption and coal flotation. To determine the key interactive effects between coal, amine, and CO2 in the process, a high-order multifield synergy model was developed accordingly. According to the high-order multifield synergy model, the effects of coal particle diameter, coal weight fraction, CO2 loading, and amine on the CO2 desorption and coal flotation were analyzed in detail. It was found that there is almost twice the CO2 amount at coal weight fraction of 0.06 than that at a coal weight fraction of 0.02. The coal recovery rate at 0.35 mol/mol is twice of that at 0.15 mol/mol. The adsorption energy, adsorption layer thickness, and zeta potential determine the interactive effects between coal, amine, and CO2. The coal, amine, and CO2 system increases the coal recovery rate by 25% and reduces the CO2 desorption energy by 20% with desorption temperature below 373 K. The high-order multifield synergy model shows the advantages of higher prediction accuracy and is easier to converge than the conventional multifield synergy model.

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GB/T 7714 Yu, Yunsong , Hong, Yingting , Zhang, Zaoxiao et al. Determining the Interactive Effects in CO2 Capture Integrated with Coal Flotation by High-Order Multifield Synergy Model [J]. | INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH , 2018 , 57 (7) : 2645-2657 .
MLA Yu, Yunsong et al. "Determining the Interactive Effects in CO2 Capture Integrated with Coal Flotation by High-Order Multifield Synergy Model" . | INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH 57 . 7 (2018) : 2645-2657 .
APA Yu, Yunsong , Hong, Yingting , Zhang, Zaoxiao , Wang, Geoff G. X. . Determining the Interactive Effects in CO2 Capture Integrated with Coal Flotation by High-Order Multifield Synergy Model . | INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH , 2018 , 57 (7) , 2645-2657 .
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Molecular dynamics simulation of tensile strain-altered hydrogen behaviour and its effects on local plasticity EI SCIE Scopus
期刊论文 | 2018 , 44 (3) , 173-178 | MOLECULAR SIMULATION
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Abstract :

Using molecular dynamics simulation, local plasticity of bcc Fe (001) is studied at different density of Fe-H cluster. H-induced softening and hardening of Fe substrate are observed along with the tensile elongation at low and high density, respectively. The two contradictory phenomena are ascribed to H behaviours-related plastic deformation. At high H partial pressure, initial H aggregation would lead to the formation of many H-enriched clusters similar to hydride. Tensile strain-induced dislocations (TSID) prefer to be generated and grow at the weakening interface of clusters and iron substrate. At low H partial pressure, TSIDs are uniformly distributed in the whole substrate. Owing to the affinity between H and dislocations, the diffusion of H appears to be distinct under different spatial distribution of TSIDs. H aggregation and dispersion can be enhanced and produce nonuniform and uniform plastic deformation during the continuous tensile process at high and low Fe-H cluster density, respectively. The former can stimulate local failures and accelerate the degradation of mechanical property. The results are helpful for better understanding of Fe-H cluster-related hardening and softening considering external strain-altered H behaviours except for the mechanism of H-dislocation interaction.

Keyword :

hydrogen embrittlement cluster local plasticity Molecular dynamic simulation external strain

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GB/T 7714 Zheng, Yao-Ting , He, Min , Cheng, Guang-xu et al. Molecular dynamics simulation of tensile strain-altered hydrogen behaviour and its effects on local plasticity [J]. | MOLECULAR SIMULATION , 2018 , 44 (3) : 173-178 .
MLA Zheng, Yao-Ting et al. "Molecular dynamics simulation of tensile strain-altered hydrogen behaviour and its effects on local plasticity" . | MOLECULAR SIMULATION 44 . 3 (2018) : 173-178 .
APA Zheng, Yao-Ting , He, Min , Cheng, Guang-xu , Zhang, Zaoxiao , Xuan, Fu-Zhen , Wang, Zhengdong . Molecular dynamics simulation of tensile strain-altered hydrogen behaviour and its effects on local plasticity . | MOLECULAR SIMULATION , 2018 , 44 (3) , 173-178 .
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Recognition of leak CO2 with wavelet analysis based on correlation monitoring between CO2 and O-2 in atmosphere EI SCIE Scopus
期刊论文 | 2018 , 114 , 64-78 | PROCESS SAFETY AND ENVIRONMENTAL PROTECTION
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Abstract :

It is necessary to monitor and identify CO2 leakage from geosequestration project. Some experiments were designed to test the feasibility of characterization and recognition method for CO2 leakage based on correlation analysis between atmospheric CO2 and O-2. The monitoring results showed that atmospheric CO2 had a good linear relationship with O-2, especially in the day time. The variations of CO2 and O-2 were influenced by the weather condition. The results of emission experiments proved the capability of coupling monitoring atmospheric CO2 and O-2 to recognize the abnormal CO2 signal due to leakage. Moreover, two parameters, ALF (apparent leakage flux) and ALFs (apparent leakage flux based on surplus variable) were used to distinguish CO2 leakage in real time. The monitoring results verified that it was feasible to identify CO2 leakage with these two parameters. Compared with the results after median filter, the abrupt leakage signal can be more easily recognized with that after wavelet filter. ALFs can be applied to estimate the elevated concentration due to leakage, which can also be predicted by interpolating with related variation of atmospheric O-2. ALF reflects the relative leakage rate. Therefore, it is practicable to identify leakage event in real time with the method proposed in this paper. (C) 2017 Institution of Chemical Engineers. Published by Elsevier B.V. All rights reserved.

Keyword :

Leakage monitoring Geosequestration safety Storage failure Gas leakage Leakage risk Leakage verification Correlation analysis

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GB/T 7714 Ma, Denglong , Tan, Wei , Zhang, Zaoxiao et al. Recognition of leak CO2 with wavelet analysis based on correlation monitoring between CO2 and O-2 in atmosphere [J]. | PROCESS SAFETY AND ENVIRONMENTAL PROTECTION , 2018 , 114 : 64-78 .
MLA Ma, Denglong et al. "Recognition of leak CO2 with wavelet analysis based on correlation monitoring between CO2 and O-2 in atmosphere" . | PROCESS SAFETY AND ENVIRONMENTAL PROTECTION 114 (2018) : 64-78 .
APA Ma, Denglong , Tan, Wei , Zhang, Zaoxiao , Wang, Xiaoqiao , Xia, Fengshe , Hu, Jun . Recognition of leak CO2 with wavelet analysis based on correlation monitoring between CO2 and O-2 in atmosphere . | PROCESS SAFETY AND ENVIRONMENTAL PROTECTION , 2018 , 114 , 64-78 .
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Effect of ionization on the oxidation kinetics of aluminum nanoparticles EI SCIE Scopus
期刊论文 | 2018 , 696 , 8-11 | CHEMICAL PHYSICS LETTERS
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Abstract :

Molecular dynamics simulation (MD) of the observed stepwise oxidation of core-shell structured Al/Al2O3 nanoparticles is presented. Different from the metal ion hopping process in the Cabrera-Mott model, which is assumed to occur only at a certain distance from the oxide layer, the MD simulation shows that Al atoms jump over various interfacial gaps directly under the thermal driving force. The energy barrier for Al ionization is found to be increased along with the enlargement of interfacial gap. A mechanism of competition between thermal driving force and ionization potential barrier is proposed in the interpretation of stepwise oxidation behavior. (C) 2018 Elsevier B.V. All rights reserved.

Keyword :

Ionization dynamics simulation Molecular Nanoparticle Oxidation mechanism

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GB/T 7714 Zheng, Yao-Ting , He, Min , Cheng, Guang-xu et al. Effect of ionization on the oxidation kinetics of aluminum nanoparticles [J]. | CHEMICAL PHYSICS LETTERS , 2018 , 696 : 8-11 .
MLA Zheng, Yao-Ting et al. "Effect of ionization on the oxidation kinetics of aluminum nanoparticles" . | CHEMICAL PHYSICS LETTERS 696 (2018) : 8-11 .
APA Zheng, Yao-Ting , He, Min , Cheng, Guang-xu , Zhang, Zaoxiao , Xuan, Fu-Zhen , Wang, Zhengdong . Effect of ionization on the oxidation kinetics of aluminum nanoparticles . | CHEMICAL PHYSICS LETTERS , 2018 , 696 , 8-11 .
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An interactive chemical enhancement of CO2 capture in the MEA/PZ/AMP/DEA binary solutions EI SCIE Scopus
期刊论文 | 2018 , 74 , 119-129 | INTERNATIONAL JOURNAL OF GREENHOUSE GAS CONTROL
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Abstract :

Chemical absorption is an effective method for CO2 capture. Due to their high absorption/desorption efficiency, amines have been used in single or blended form. Compared with the single ones, blended solvents usually show better absorption/desorption performance because of their interactive enhancement effect, however the mechanism is still unclear. In this study, the chemical interactive reaction is assumed to be one of the key factors for the enhancement. Based on this, the reactions of CO2 absorption in binary amine solvents (the binary mixtures of monoethanolamine (MEA)/piperazine (PZ)/2-amino-2-methyl-1-propanol (AMP)/diethanolamine (DEA)) have been investigated. The ab initio method with Density Functional Theory (DFT) is adopted in the simulations. Compared with other amines, numerical results showed that PZ presents the lowest forward energy barrier and the second lowest backward energy barrier in zwitterion formation. During the intermolecular hydrogen transfer processes, PZ shows a significant enhancement effect on MEA/DEA/AMP in the interactive reactions. For MEA, it shows an enhancing effect on AMP but hindering effect on PZ and DEA. Moreover, it was found that the MEA(+)COO(-) based reactions have good absorption property while the AMP(+)COO(-) based ones have good desorption performance. These findings reveal the interactive effect between different amines during the interactive reactions, which may provide theoretical instructions for solvent screening of blended solutions.

Keyword :

Blended solvents Interactive reaction Chemical enhancement CO2 capture DFT

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GB/T 7714 Zhang, Tingting , Yu, Yunsong , Zhang, Zaoxiao . An interactive chemical enhancement of CO2 capture in the MEA/PZ/AMP/DEA binary solutions [J]. | INTERNATIONAL JOURNAL OF GREENHOUSE GAS CONTROL , 2018 , 74 : 119-129 .
MLA Zhang, Tingting et al. "An interactive chemical enhancement of CO2 capture in the MEA/PZ/AMP/DEA binary solutions" . | INTERNATIONAL JOURNAL OF GREENHOUSE GAS CONTROL 74 (2018) : 119-129 .
APA Zhang, Tingting , Yu, Yunsong , Zhang, Zaoxiao . An interactive chemical enhancement of CO2 capture in the MEA/PZ/AMP/DEA binary solutions . | INTERNATIONAL JOURNAL OF GREENHOUSE GAS CONTROL , 2018 , 74 , 119-129 .
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Multi-level configuration and optimization of a thermal energy storage system using a metal hydride pair EI SCIE Scopus
期刊论文 | 2018 , 217 , 25-36 | APPLIED ENERGY
WoS CC Cited Count: 1
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Abstract :

Metal hydride thermal energy storage (TES) system is an attractive option for the concentrated solar power. In this article, a multi-level configuration is proposed to intensify the discharging process of TES system using MgH2/LaNi5 pair. The discharging process is simulated by establishing a mathematical model, which is solved by COMSOL Multiphysics v5.1. The multi-layer structure of storage units is simplified by the conversion of porosity and thermal conductivity. It is found that the multi-level configuration mitigates the non-uniform reaction along the oil flow direction so as to enhance the overall discharging performance effectively, such as the decrease of discharging time from 17,350 s to 14,688 s and the increase of output temperature by similar to 5 degrees C. Meanwhile, the optimum number of levels is determined between 4 and 5 according to the effect of the number of levels on the discharging performance. Furthermore, it is revealed that the optimum allocation principle of storage materials is to maintain the same discharging time for all the subsystems.

Keyword :

Metal hydride pair Multi-level system Thermal energy storage Optimum number of levels Optimum allocation principle

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GB/T 7714 Feng, Penghui , Wu, Zhen , Zhang, Yang et al. Multi-level configuration and optimization of a thermal energy storage system using a metal hydride pair [J]. | APPLIED ENERGY , 2018 , 217 : 25-36 .
MLA Feng, Penghui et al. "Multi-level configuration and optimization of a thermal energy storage system using a metal hydride pair" . | APPLIED ENERGY 217 (2018) : 25-36 .
APA Feng, Penghui , Wu, Zhen , Zhang, Yang , Yang, Fusheng , Wang, Yuqi , Zhang, Zaoxiao . Multi-level configuration and optimization of a thermal energy storage system using a metal hydride pair . | APPLIED ENERGY , 2018 , 217 , 25-36 .
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Elastic Interaction in Bolted Flange Joints: An Analytical Model to Predict and Optimize Bolt Load EI SCIE Scopus
期刊论文 | 2018 , 140 (4) | JOURNAL OF PRESSURE VESSEL TECHNOLOGY-TRANSACTIONS OF THE ASME
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Abstract :

Bolted flange joints are widely used in the nuclear power plants and other industrial complexes. During their assembly, it is extremely difficult to achieve the target bolt preload and tightening uniformity due to elastic interaction and criss-cross talks. In addition to the severe service loadings, the initial bolt load scatter increases the risk of leakage failure. The objective of this paper is to present an analytical model to predict the bolt tension change due to elastic interaction during the sequence of initial tightening. The proposed analytical model is based on the theory of circular beams on linear elastic foundation. The elastic compliances of the flanges, the bolts, and the gasket due to bending, twisting, and axial compression are involved in the elastic interaction and bolt load changes during tightening. The developed model can be used to optimize the initial bolt tightening to obtain a uniform final preload under minimum tightening passes. The approach is validated using finite element analysis (FEA) and experimental tests conducted on a NPS 4 class 900 weld neck bolted flange joint.

Keyword :

elastic compliance bolted flange joints tightening sequence elastic interaction analytical model

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GB/T 7714 Zhu, Linbo , Bouzid, Abdel-Hakim , Hong, Jun et al. Elastic Interaction in Bolted Flange Joints: An Analytical Model to Predict and Optimize Bolt Load [J]. | JOURNAL OF PRESSURE VESSEL TECHNOLOGY-TRANSACTIONS OF THE ASME , 2018 , 140 (4) .
MLA Zhu, Linbo et al. "Elastic Interaction in Bolted Flange Joints: An Analytical Model to Predict and Optimize Bolt Load" . | JOURNAL OF PRESSURE VESSEL TECHNOLOGY-TRANSACTIONS OF THE ASME 140 . 4 (2018) .
APA Zhu, Linbo , Bouzid, Abdel-Hakim , Hong, Jun , Zhang, Zaoxiao . Elastic Interaction in Bolted Flange Joints: An Analytical Model to Predict and Optimize Bolt Load . | JOURNAL OF PRESSURE VESSEL TECHNOLOGY-TRANSACTIONS OF THE ASME , 2018 , 140 (4) .
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Environmental assessment by dynamic full-field synergy model in co-combustion of coal and sludge with high water content EI SCIE Scopus
期刊论文 | 2018 , 198 , 54-70 | JOURNAL OF CLEANER PRODUCTION
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The management of industrial sludge generated considerable interest for environmental protection. The cost associated with the treatment of sludge with high water content is considerably higher before the discharge of a clean effluent. In order to reduce this cost, this study developed the co-combustion of coal and sludge with high water content in a 220 t/h boiler, to tackle the sludge and control the 502, NOx, and CO2 emissions from the boiler. The idea at the basis of this study was to directly eject the sludge with high water content into the boiler. A dynamic full-field synergy model was developed to perform the environmental assessment, which considers the dynamic characteristic and the full-field synergy over two co-combustion fields. Industrial field data were used to validate the model. It was found that boiler efficiency decreased only by 0.1% with sludge ejection, while flue gas moisture was almost unvaried. The SO2 and NOx emissions were reduced by 14.27% and 8.23% respectively, if compared with emissions without co-combustion of coal and sludge. The results are attributed to the improved synergy effects. The drive forces of liquid and solid particles are the dominant steps for the fluid flow field transformation between the W-shape and the M-shape. The dynamic full-field synergy model, presented in this study, allows the characterization of co-combustion with 92% water content and a nozzle diameter of 1.5-3.5 mm. It accurately describes the full-field synergy effects of the field number over two, a result that could not be obtained by the conventional multi-field synergy model. Crown Copyright (C) 2018 Published by Elsevier Ltd. All rights reserved.

Keyword :

CO2 Dynamic NOx Sludge Full-field synergy Co-combustion

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GB/T 7714 Yu, Yunsong , Hong, Yingting , Fang, Tao et al. Environmental assessment by dynamic full-field synergy model in co-combustion of coal and sludge with high water content [J]. | JOURNAL OF CLEANER PRODUCTION , 2018 , 198 : 54-70 .
MLA Yu, Yunsong et al. "Environmental assessment by dynamic full-field synergy model in co-combustion of coal and sludge with high water content" . | JOURNAL OF CLEANER PRODUCTION 198 (2018) : 54-70 .
APA Yu, Yunsong , Hong, Yingting , Fang, Tao , Zhang, Zaoxiao , Wang, Geoff . Environmental assessment by dynamic full-field synergy model in co-combustion of coal and sludge with high water content . | JOURNAL OF CLEANER PRODUCTION , 2018 , 198 , 54-70 .
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