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A stepwise process for carbon dioxide sequestration using magnesium silicates

Johan FAGERLUND, Experience NDUAGU, Ron ZEVENHOVEN, Inês ROMÃO,

《化学科学与工程前沿（英文）》 2010年 第4卷 第2期   页码 133-141 doi: 10.1007/s11705-009-0259-5

摘要： This work involves the production of magnesium in the form of Mg(OH) from serpentinite rock (nickel mine tailing) material followed by conversion into MgCO using a pressurised fluidised bed (PFB) reactor operating at 400°C–600°C and pressures up to 2.85MPa. Our approach is rooted in the thermodynamic fact that the reaction between Mg(OH) and gaseous CO forming MgCO and water releases significant amounts of heat. The main problem is, however, the chemical kinetics; the reaction is slow and has to be accelerated in order to be used in an economically viable process for large-scale (~1Mt/a) CO sequestration. We have constructed a lab-scale PFB reactor test-setup for optimising the carbonation reaction. At high enough temperatures and conversion levels the reaction should provide the heat for the proceeding Mg(OH) production step, making the overall process energy neutral. So far we have been able to achieve a conversion degree of 26% at 500°C and 2.85MPa after 30min (particle size 125–212μm). In this paper the test facility and our latest results and progress on CO mineral carbonation are summarised. Also, the possible integration of the iron as a feedstock for iron and steel production will be briefly addressed. An interesting side-effect of this carbon dioxide capture and storage (CCS) route is that significant amounts of iron are obtained from the serpentinite rock material. This is released during the Mg(OH) production and can be of great interest to the iron- and steel producing sector, which at the same time is Finland’s largest CO producer.

关键词： carbonation reaction     reactor     producer     large-scale     process    

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Operando modeling and measurements: Powerful tools for revealing the mechanism of alkali carbonate-based sorbents for CO capture in real conditions

《能源前沿（英文）》 2023年 第17卷 第3期   页码 380-389 doi: 10.1007/s11708-023-0872-x

摘要： Alkali carbonate-based sorbents (ACSs), including Na2CO3- and K2CO3-based sorbents, are promising for CO2 capture. However, the complex sorbent components and operation conditions lead to the versatile kinetics of CO2 sorption on these sorbents. This paper proposed that operando modeling and measurements are powerful tools to understand the mechanism of sorbents in real operating conditions, facilitating the sorbent development, reactor design, and operation parameter optimization. It reviewed the theoretical simulation achievements during the development of ACSs. It elucidated the findings obtained by utilizing density functional theory (DFT) calculations, ab initio molecular dynamics (AIMD) simulations, and classical molecular dynamics (CMD) simulations as well. The hygroscopicity of sorbent and the humidity of gas flow are crucial to shifting the carbonation reaction from the gas−solid mode to the gas−liquid mode, boosting the kinetics. Moreover, it briefly introduced a machine learning (ML) approach as a promising method to aid sorbent design. Furthermore, it demonstrated a conceptual compact operando measurement system in order to understand the behavior of ACSs in the real operation process. The proposed measurement system includes a micro fluidized-bed (MFB) reactor for kinetic analysis, a multi-camera sub-system for 3D particle movement tracking, and a combined Raman and IR sub-system for solid/gas components and temperature monitoring. It is believed that this system is useful to evaluate the real-time sorbent performance, validating the theoretical prediction and promoting the industrial scale-up of ACSs for CO2 capture.

关键词： CO2 capture     carbonation     theoretical modeling     operando techniques     reaction visualization    

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A combination process of mineral carbonation with SO2 disposal for simulated flue gas by magnesia-added

Yingying Zhao, Mengfan Wu, Zhiyong Ji, Yuanyuan Wang, Jiale Li, Jianlu Liu, Junsheng Yuan

《化学科学与工程前沿（英文）》 2019年 第13卷 第4期   页码 832-844 doi: 10.1007/s11705-019-1871-7

摘要： The desulfurization by seawater and mineral carbonation have been paid more and more attention. In this study, the feasibility of magnesia and seawater for the integrated disposal of SO and CO in the simulated flue gas was investigated. The process was conducted by adding MgO in seawater to reinforce the absorption of SO and facilitate the mineralization of CO by calcium ions. The influences of various factors, including digestion time of magnesia, reaction temperature, and salinity were also investigated. The results show that the reaction temperature can effectively improve the carbonation reaction. After combing SO removal process with mineral carbonation, Ca removal rate has a certain degree of decrease. The best carbonation condition is to use 1.5 times artificial seawater (the concentrations of reagents are 1.5 times of seawater) at 80°C and without digestion of magnesia. The desulfurization rate is close to 100% under any condition investigated, indicating that the seawater has a sufficient desulfurization capacity with adding magnesia. This work has demonstrated that a combination of the absorption of SO with the absorption and mineralization of CO is feasible.

关键词： mineral carbonation     wet SO2 disposal     seawater     desulfurization    

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Long-term durability of onshore coated concrete —chloride ion and carbonation effects

Seyedhamed SADATI,Mehdi K. MORADLLO,Mohammad SHEKARCHI

《结构与土木工程前沿（英文）》 2016年 第10卷 第2期   页码 150-161 doi: 10.1007/s11709-016-0341-2

摘要： Enhancing service life of reinforced concrete (RC) structures located in marine environments is an issue of great interest for design engineers. The present research addresses the effect of surface coatings on service life of onshore RC structures. Long-term performance of concrete samples up to 88 months of exposure at natural marine environment was investigated. Two onshore exposure conditions, including soil and atmosphere and different types of concrete coatings were studied. Carbonation rates of up to 0.5 and 1.5 mm/year were observed at the first 88 months of exposure for soil and atmospheric samples, respectively. Surface chloride ion build-up and variation in chloride ion diffusion were monitored with respect to time, and service life was estimated. Based on the obtained results it is proposed to use the aliphatic acrylic and polyurethane coatings for enhancing the service life of concrete structures in the investigated exposure conditions.

关键词： carbonation     chloride ion     corrosion     service life     surface coating    

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Impacts of climate change on optimal mixture design of blended concrete considering carbonation and chloride

Xiao-Yong WANG

《结构与土木工程前沿（英文）》 2020年 第14卷 第2期   页码 473-486 doi: 10.1007/s11709-020-0608-5

摘要： Many studies on the mixture design of fly ash and slag ternary blended concrete have been conducted. However, these previous studies did not consider the effects of climate change, such as acceleration in the deterioration of durability, on mixture design. This study presents a procedure for the optimal mixture design of ternary blended concrete considering climate change and durability. First, the costs of CO emissions and material are calculated based on the concrete mixture and unit prices. Total cost is equal to the sum of material cost and CO emissions cost, and is set as the objective function of the optimization. Second, strength, slump, carbonation, and chloride ingress models are used to evaluate concrete properties. The effect of different climate change scenarios on carbonation and chloride ingress is considered. A genetic algorithm is used to find the optimal mixture considering various constraints. Third, illustrative examples are shown for mixture design of ternary blended concrete. The analysis results show that for ternary blended concrete exposed to an atmospheric environment, a rich mix is necessary to meet the challenge of climate change, and for ternary blended concrete exposed to a marine environment, the impact of climate change on mixture design is marginal.

关键词： ternary blended concrete     climate change     optimal mixture design     carbonation     chloride ingress    

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A novel sequence batch membrane carbonation photobioreactor developed for microalgae cultivation

Caiyun Hou, Sen Qiao, Yue Yang, Jiti Zhou

《环境科学与工程前沿（英文）》 2019年 第13卷 第6期 doi: 10.1007/s11783-019-1176-6

摘要： • A novel SBM-C-PBR was constructed for microalgae cultivation. • Membrane fouling was greatly mitigated by membrane carbonation. • NH4+ and P removal rates were around 80% in SBM-C-PBR. • Biomass was completely retained by membrane. In this study, a novel sequence batch membrane carbonation photobioreactor was developed for microalgae cultivation. Herein, membrane module was endowed functions as microalgae retention and CO2 carbonation. The results in the batch experiments expressed that the relatively optimal pore size of membranes was 30 nm, photosynthetically active radiation was 36 W/m2 and the CO2 concentration was 10% (v/v). In long-term cultivation, the microalgal concentration separately accumulated up to 1179.0 mg/L and 1296.4 mg/L in two periods. The concentrations of chlorophyll a, chlorophyll b and carotenoids were increased about 23.2, 14.9 and 6.3 mg/L respectively in period I; meanwhile, the accumulation was about 25.0, 14.5, 6.6 mg/L respectively in the period II. Furthermore, the pH was kept about 5.5–7.5 due to intermittent carbonation mode, which was suitable for the growth of microalgae. Transmembrane pressure (TMP) was only increased by 0.19 and 0.16 bar in the end of periods I and II, respectively. The pure flux recovered to 75%–80% of the original value by only hydraulic cleaning. Scanning electron microscope images also illustrated that carbonation through membrane module could mitigate fouling levels greatly.

关键词： Membrane carbonation     SBM-C-PBR     Cultivate microalgae     Membrane fouling    

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Simulation on thermodynamic state of ammonia carbonation at low temperature and low pressure

Jingcai ZHAO, Xingfu SONG, Ze SUN, Jianguo YU

《化学科学与工程前沿（英文）》 2013年 第7卷 第4期   页码 447-455 doi: 10.1007/s11705-013-1370-1

摘要： This study on thermodynamic property of NH -CO -H O system provided the basic data for ammonia carbonation. Simulations on vapor-liquid equilibrium (VLE) of ammonia carbonation with different physical properties were discussed in NH -H O and NH -CO -H O systems, respectively. The results indicated that at low temperature (303.15 K–363.15 K) and pressure (0.1–0.4 MPa), the PR (Peng-Robinson) equation was suitable for the description of the thermodynamic state in NH -H O system. NRTL (Non-Random-Two-Liquid) series models were selected for NH -CO -H O mixed electrolyte solution system. VLE data regression results showed that NRTL series models were suitable for describing thermodynamic properties of NH -CO -H O system, because average relative error fitting with each model was about 1%. As an asymmetric electrolytes model in NRTL model, E–NRTLRK (Electrolyte NRTL Redlich Kwong) could most accurately fit VLE data of NH -CO -H O system, with fitting error less than 1%. In the extent temperature range of 273.15 K–363.15 K, the prediction of product component using E-NRTLRK model for ammonia carbonation agreed well with the data reported in literature.

关键词： vapor-liquid equilibrium     activity coefficient     carbon dioxide     ammonia     NRTL    

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Long-term effects of electrochemical realkalization on carbonated concrete

Peng ZHU, Ji ZHANG, Wenjun QU

《结构与土木工程前沿（英文）》 2020年 第14卷 第1期   页码 127-137 doi: 10.1007/s11709-019-0583-x

摘要： The long-term effects of electrochemical realkalization on carbonated reinforced concrete with a / ratio of 0.65 were studied. Fourteen out of 16 carbonated specimens had been subjected to realkalization seven years ago, and the alkalinity of the concrete, the electrochemical characters (corrosion current density and potential) of the specimens and the corrosion conditions of the steel bars were examined. Results of different specimens and also at different time (4, 10, 13 months and 7 years after realkalization) were compared. According to the phenolphthalein and pH meter test, the alkalinity of the concrete had disappeared after seven years. Based on the potentiodynamic polarization test, various corrosion conditions had developed on the steel bars, which was verified by visual observation. All bars were in the depassivated state, and their corrosion current densities increased significantly after seven years. Cracks developed in some of the specimens, and the diverse compactness of concrete and excessive current of realkalization were considered to be possible causes. The effects of the realkalization treatment vanished after seven years.

关键词： realkalization     concrete     carbonation     polarization curve     corrosion    

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Prediction on CO

Kaiwen HUANG, Ao LI, Bing XIA, Tao DING

《结构与土木工程前沿（英文）》 2020年 第14卷 第3期   页码 746-759 doi: 10.1007/s11709-020-0635-2

摘要： Carbonation of concrete is a process which absorbs carbon dioxide (CO ). Recycled aggregate concrete (RAC) may own greater potential in CO uptake due to the faster carbonation rate than natural aggregate concrete (NAC). A quantitative model was employed to predict the CO uptake of RAC in this study. The carbonation of RAC and the specific surface area of recycled coarse aggregates (RCAs) were tested to verify accuracy of the quantitative model. Based on the verified model, results show that the CO uptake capacity increases with the increase of RCA replacement percentage. The CO uptake amount of 1 m C30 RAC within 50 years is 10.6, 13.8, 17.2, and 22.4 kg when the RCA replacement percentage is 30%, 50%, 70%, and 100%, respectively. The CO uptake by RCAs is remarkable and reaches 35.8%–64.3% of the total CO uptake by RAC when the RCA storage time being 30 days. Considering the fact that the amount of old hardened cement paste in RCAs is limited, there is an upper limit for the CO uptake of RCAs.

关键词： RAC     CO2 uptake     carbonation     specific surface area     RCA    

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Service life prediction of fly ash concrete using an artificial neural network

《结构与土木工程前沿（英文）》 2021年 第15卷 第3期   页码 793-805 doi: 10.1007/s11709-021-0717-9

摘要： Carbonation is one of the most aggressive phenomena affecting reinforced concrete structures and causing their degradation over time. Once reinforcement is altered by carbonation, the structure will no longer fulfill service requirements. For this purpose, the present work estimates the lifetime of fly ash concrete by developing a carbonation depth prediction model that uses an artificial neural network technique. A collection of 300 data points was made from experimental results available in the published literature. Backpropagation training of a three-layer perceptron was selected for the calculation of weights and biases of the network to reach the desired performance. Six parameters affecting carbonation were used as input neurons: binder content, fly ash substitution rate, water/binder ratio, CO2 concentration, relative humidity, and concrete age. Moreover, experimental validation carried out for the developed model shows that the artificial neural network has strong potential as a feasible tool to accurately predict the carbonation depth of fly ash concrete. Finally, a mathematical formula is proposed that can be used to successfully estimate the service life of fly ash concrete.

关键词： concrete     fly ash     carbonation     neural networks     experimental validation     service life    

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Thermodynamic analysis of reaction pathways and equilibrium yields for catalytic pyrolysis of naphtha

《化学科学与工程前沿（英文）》 2022年 第16卷 第12期   页码 1700-1712 doi: 10.1007/s11705-022-2207-6

摘要： The chain length and hydrocarbon type significantly affect the production of light olefins during the catalytic pyrolysis of naphtha. Herein, for a better catalyst design and operation parameters optimization, the reaction pathways and equilibrium yields for the catalytic pyrolysis of C5–8 n/iso/cyclo-paraffins were analyzed thermodynamically. The results revealed that the thermodynamically favorable reaction pathways for n/iso-paraffins and cyclo-paraffins were the protolytic and hydrogen transfer cracking pathways, respectively. However, the formation of light paraffin severely limits the maximum selectivity toward light olefins. The dehydrogenation cracking pathway of n/iso-paraffins and the protolytic cracking pathway of cyclo-paraffins demonstrated significantly improved selectivity for light olefins. The results are thus useful as a direction for future catalyst improvements, facilitating superior reaction pathways to enhance light olefins. In addition, the equilibrium yield of light olefins increased with increasing the chain length, and the introduction of cyclo-paraffin inhibits the formation of light olefins. High temperatures and low pressures favor the formation of ethylene, and moderate temperatures and low pressures favor the formation of propylene. n-Hexane and cyclohexane mixtures gave maximum ethylene and propylene yield of approximately 49.90% and 55.77%, respectively. This work provides theoretical guidance for the development of superior catalysts and the selection of proper operation parameters for the catalytic pyrolysis of C5–8 n/iso/cyclo-paraffins from a thermodynamic point of view.

关键词： naphtha     catalytic pyrolysis     reaction pathway     equilibrium yield    

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In-situ condition monitoring of reinforced concrete structures

Sanjeev Kumar VERMA,Sudhir Singh BHADAURIA,Saleem AKHTAR

《结构与土木工程前沿（英文）》 2016年 第10卷 第4期   页码 420-437 doi: 10.1007/s11709-016-0336-z

摘要： Performance of concrete structures is significantly influenced and governed by its durability and resistance to environmental or exposure conditions, apart from its physical strength. It can be monitored, evaluated and predicted through modeling of physical deterioration mechanisms, performance characteristics and parameters and condition monitoring of in situ concrete structures. One such study has been conducted using Non-destructive testing equipment in the city of Bhopal and around located in India. Some selected parameters influencing durability of reinforced concrete (RC) structures such as concrete cover, carbonation depth, chloride concentration, half cell potential and compressive strength have been measured, for establishing correlation among various parameters and age of structures. Effects of concrete cover and compressive strength over the variation of chloride content with time are also investigated.

关键词： concrete     carbonation     chloride     corrosion     monitoring     models    

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Carbonation depth prediction of fly ash concrete subjected to 2- and 3-dimensional CO attack

CHEN Shudong, SUN Wei, ZHANG Yunsheng, GUO Fei

《结构与土木工程前沿（英文）》 2008年 第2卷 第4期   页码 395-400 doi: 10.1007/s11709-008-0046-2

摘要： Based on accelerated carbonation test, 1D, 2D and 3D carbonation of high performance concrete with different fly ash contents (0%, 15%, 20%, 40%, 60%) were studied. The interaction coefficients of 2D and 3D carbonation are defined. The time-dependent coefficient of carbon dioxide diffusion and the interaction coefficients of 2D and 3D carbonation are analyzed. The mathematical model which includes and is deduced. The experiments indicate that 2D and 3D carbonation have obvious interaction. Interaction coefficients obey the attenuation function through time . The mathematical model of 2D and 3D carbonation life prediction based on Fick scattering law can be solved by Fourier expansion. The life prediction of concrete of Sutong Bridge beam shows that the 1D, 2D, 3D carbonation prediction life are 1595 a, 882 a and 758 a, respectively, 2D and 3D carbonation life predicted are reduced clearly.
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催化裂化过程反应化学的进展

许友好,汪燮卿

《中国工程科学》 2007年 第9卷 第8期   页码 6-14

摘要：

面对催化裂化工艺所遇到的挑战，提出了催化裂化过程反应化学的多维反应结构模式。多维反应结构模式的建立是基于对烃类在酸性催化剂上反应化学认识而进行的知识创新，但多维反应结构不同于烃类在酸性催化剂上反应化学。具有多维反应结构的催化裂化工艺更具有多样性和灵活性，基于此已成功地开发了多产异构烷烃的催化裂化工艺和生产清洁汽油和多产丙烯的催化裂化工艺。

关键词： 催化裂化     反应化学     催化剂     多维反应结构     两个反应区    

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Heterogeneous reaction mechanism of gaseous HNO

Nan ZHAO,Qingzhu ZHANG,Wenxing WANG

《环境科学与工程前沿（英文）》 2016年 第10卷 第5期 doi: 10.1007/s11783-016-0836-z

摘要： We studied the heterogeneous reaction mechanism of gaseous HNO with solid NaCl. HCl is released from heterogeneous reactions between gaseous HNO and solid NaCl. Water molecules induce surface reconstruction of NaCl to facilitate the reaction. Sea salt particles containing NaCl are among the most abundant particulate masses in coastal atmosphere. Reactions involving sea salt particles potentially generate Cl radicals, which are released into coastal atmosphere. Cl radicals play an important role in the nitrogen and O cycles, sulfur chemistry and particle formation in the troposphere of the polluted coastal regions. This paper aimed at the heterogeneous reaction between gaseous HNO and solid NaCl. The mechanism was investigated by density functional theory (DFT). The results imply that water molecules induce the surface reconstruction, which is essential for the heterogeneous reaction. The surface reconstruction on the defective (710) surface has a barrier of 10.24 kcal·mol and is endothermic by 9.69 kcal·mol , whereas the reconstruction on the clean (100) surface has a barrier of 18.46 kcal·mol and is endothermic by 12.96 kcal·mol . The surface reconstruction involved in water-adsorbed (710) surface is more energetically favorable. In comparison, water molecules adsorbed on NaCl (100) surface likely undergo water diffusion or desorption. Further, it reveals that the coordination number of the Cl is reduced after the surface reconstruction, which assists Cl to accept the proton from HNO . HCl is released from heterogeneous reactions between gaseous HNO and solid NaCl and can react with OH free radicals to produce atomic Cl radicals. The results will offer further insights into the impact of gaseous HNO on the air quality of the coastal areas.

关键词： Seasalt particles     NaCl     HNO3     Heterogeneous reaction     Reaction mechanism     Density functional theory    

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标题 作者 时间 类型 操作

A stepwise process for carbon dioxide sequestration using magnesium silicates

Johan FAGERLUND, Experience NDUAGU, Ron ZEVENHOVEN, Inês ROMÃO,

期刊论文

Operando modeling and measurements: Powerful tools for revealing the mechanism of alkali carbonate-based sorbents for CO capture in real conditions

期刊论文

A combination process of mineral carbonation with SO2 disposal for simulated flue gas by magnesia-added

Yingying Zhao, Mengfan Wu, Zhiyong Ji, Yuanyuan Wang, Jiale Li, Jianlu Liu, Junsheng Yuan

期刊论文

Long-term durability of onshore coated concrete —chloride ion and carbonation effects

Seyedhamed SADATI,Mehdi K. MORADLLO,Mohammad SHEKARCHI

期刊论文

Impacts of climate change on optimal mixture design of blended concrete considering carbonation and chloride

Xiao-Yong WANG

期刊论文

A novel sequence batch membrane carbonation photobioreactor developed for microalgae cultivation

Caiyun Hou, Sen Qiao, Yue Yang, Jiti Zhou

期刊论文

Simulation on thermodynamic state of ammonia carbonation at low temperature and low pressure

Jingcai ZHAO, Xingfu SONG, Ze SUN, Jianguo YU

期刊论文

Long-term effects of electrochemical realkalization on carbonated concrete

Peng ZHU, Ji ZHANG, Wenjun QU

期刊论文

Prediction on CO

Kaiwen HUANG, Ao LI, Bing XIA, Tao DING

期刊论文

Service life prediction of fly ash concrete using an artificial neural network

期刊论文

Thermodynamic analysis of reaction pathways and equilibrium yields for catalytic pyrolysis of naphtha

期刊论文

In-situ condition monitoring of reinforced concrete structures

Sanjeev Kumar VERMA,Sudhir Singh BHADAURIA,Saleem AKHTAR

期刊论文

Carbonation depth prediction of fly ash concrete subjected to 2- and 3-dimensional CO attack

CHEN Shudong, SUN Wei, ZHANG Yunsheng, GUO Fei

期刊论文

催化裂化过程反应化学的进展

许友好,汪燮卿

期刊论文

Heterogeneous reaction mechanism of gaseous HNO

Nan ZHAO,Qingzhu ZHANG,Wenxing WANG

期刊论文