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Regulation of radicals by hydrogen-donor solvent in direct coal liquefaction

《化学科学与工程前沿（英文）》 2022年 第16卷 第12期   页码 1689-1699 doi: 10.1007/s11705-022-2186-7

摘要： Radicals are important intermediates in direct coal liquefaction. Certain radicals can cause the cleavage of chemical bonds. At high temperatures, radical fragments can be produced by the splitting of large organic molecules, which can break strong chemical bonds through the induction pyrolysis of radicals. The reaction between the formation and annihilation of coal radical fragments and the effect of hydrogen-donor solvents on the radical fragments are discussed in lignite hydrogenolysis. Using the hydroxyl and ether bonds as indicators, the effects of different radicals on the cleavage of chemical bond were investigated employing density functional theory calculations and lignite hydrogenolysis experiments. Results showed that the adjustment of the coal radical fragments could be made by the addition of hydrogen-donor solvents. Results showed that the transition from coal radical fragment to H radical leads to the variation of product distribution. The synergistic mechanism of hydrogen supply and hydrogenolysis of hydrogen-donor solvent was proposed.

关键词： direct coal liquefaction     hydrogen-donor solvent     induced pyrolysis     radical mechanism     density functional theory calculations    

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Micronization of curcumin with biodegradable polymer by supercritical anti-solvent using micro swirl

Kimthet Chhouk, Wahyudiono, Hideki Kanda, Shin-Ichro Kawasaki, Motonobu Goto

《化学科学与工程前沿（英文）》 2018年 第12卷 第1期   页码 184-193 doi: 10.1007/s11705-017-1678-3

摘要： Curcumin is a hydrophobic polyphenol compound exhibiting a wide range of biological activities such as anti-inflammatory, anti-bacterial, anti-fungal, anti-carcinogenic, anti-human immunodeficiency virus, and anti-microbial activity. In this work, a swirl mixer was employed to produce the micronized curcumin with polyvinylpyrrolidone (PVP) by the supercritical anti-solvent process to improve the bioavailability of curcumin. The effects of operating parameters such as curcumin/PVP ratio, feed concentration, temperature, pressure, and CO flow rate were investigated. The characterization and solubility of particles were determined by using scanning electron microscopy, Fourier Transform Infrared spectroscopy, and ultra-violet-visible spectroscopy. The result shows that the optimal condition for the production of curcumin/PVP particles is at curcumin/PVP ratio of 1:30, feed concentration of 5 mg·mL , temperature of 40 °C, pressure of 15 MPa, and CO flow rate of 15 mL·min . Moreover, the dissolution of curcumin/PVP particles is faster than that of raw curcumin.

关键词： micronization     curcumin     polyvinylpyrrolidone     supercritical anti-solvent     swirl mixer    

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Study of an artificial boundary condition based on the damping-solvent extraction method

Qiang XU, Jianyun CHEN, Jing LI, Mingming WANG

《结构与土木工程前沿（英文）》 2012年 第6卷 第3期   页码 281-287 doi: 10.1007/s11709-012-0167-5

摘要： A new artificial boundary condition for time domain analysis of a structure-unlimited-foundation system was proposed. The boundary condition was based on the damping-solvent extraction method. The principle of the damping-solvent extraction method was described. An artificial boundary condition was then established by setting two spring-damper systems and one artificial damping limited region. A test example was developed to verify that the proposed boundary condition and model had high precision. Compared with the damping-solvent extraction method, this boundary condition is easier to be applied to finite element method (FEM)-based numerical calculations.

关键词： damping-solvent extraction method     structure-unlimited-foundation system     spring-damper system     artificial damping limited region     finite element method    

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Deep eutectic solvent inclusions for high- composite dielectric elastomers

《化学科学与工程前沿（英文）》 2022年 第16卷 第6期   页码 996-1002 doi: 10.1007/s11705-022-2138-2

摘要： Recent advances in novel electroactive devices have placed new requirements on material development. High-performance dielectric elastomers with good mechanical stretchability and high dielectric constant are under high demand. However, the current strategy for fabricating these materials suffers from high cost or low thermal stability, which greatly hinders large-scale industrial production. Herein, we have successfully developed a novel strategy for improving the dielectric constant of polymeric elastomers via deep eutectic solvent inclusion by taking advantage of the low cost, convenient and environmentally benign synthesis process and high ionic conductivity from deep eutectic solvents. The as-prepared composite elastomers showed good stretchability and a greatly enhanced dielectric constant with a negligible increase in dielectric dissipation. Moreover, we have proven the universality of our strategy by using different types of deep eutectic solvents. It is believed that low-cost, easy-synthesis and environmentally friendly deep eutectic solvents including composite elastomers are highly suitable for large-scale industrial production and can greatly broaden the application fields of dielectric elastomers.

关键词： composite materials     deep eutectic solvent     dielectric elastomer     high dielectric constant    

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A new procedure combining GC-MS with accelerated solvent extraction for the analysis of phthalic acid

Tingting MA, Ying TENG, Peter CHRISTIE, Yongming LUO, Yongshan CHEN, Mao YE, Yujuan HUANG

《环境科学与工程前沿（英文）》 2013年 第7卷 第1期   页码 31-42 doi: 10.1007/s11783-012-0463-2

摘要： An optimized procedure based on gas chromatography-mass spectrometry (GC-MS) combined with accelerated solvent extraction (ASE) is developed for the analysis of six phthalic acid esters (PAEs), which are priority soil pollutants nominated by United States Environmental Protection Agency (USEPA). Quantification of PAEs in soil employs ultrasonic extraction (UE) (USEPA 3550) and ASE (USEPA 3545), followed by clean up procedures involving three different chromatography columns and two combined elution methods. GC-MS conditions under selected ion monitoring (SIM) mode are described and quality assurance and quality control (QA/QC) criteria with high accuracy and sensitivity for target analytes were achieved. Method reliability is assured with the use of an isotopically labeled PAE, di- -butyl phthalate-d4 (DnBP-D4), as a surrogate, and benzyl benzoate (BB) as an internal standard, and with the analysis of certified reference materials (CRM). QA/QC for the developed procedure was tested in four PAE-spiked soils and one PAE-contaminated soil. The four spiked soils were originated from typical Chinese agricultural fields and the contaminated soil was obtained from an electronic waste dismantling area. Instrument detection limits (IDLs) for the six PAEs ranged 0.10–0.31 μg·L and method detection limits (MDLs) of the four spiked soils varied from a range of 20–70 μg·kg to a range of 90– 290 μg·kg . Linearity of response between 20 μg·L and 2 mg·L was also established and the correlation coefficients ( ) were all>0.998. Spiked soil matrix showed relative recovery rates between 75 and 120% for the six target compounds and about 93% for the surrogate substance. The developed procedure is anticipated to be highly applicable for field surveys of soil PAE pollution in China.

关键词： phthalic acid esters     quality assurance and quality control     soil type     accelerated solvent extraction     certified reference materials    

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Techno-economic comparison of three technologies for pre-combustion CO

Simon Roussanaly, Monika Vitvarova, Rahul Anantharaman, David Berstad, Brede Hagen, Jana Jakobsen, Vaclav Novotny, Geir Skaugen

《化学科学与工程前沿（英文）》 2020年 第14卷 第3期   页码 436-452 doi: 10.1007/s11705-019-1870-8

摘要： This paper compares the techno-economic performances of three technologies for CO capture from a lignite-based IGCC power plant located in the Czech Republic: (1) Physical absorption with a Rectisol-based process; (2) Polymeric CO -selective membrane-based capture; (3) Low-temperature capture. The evaluations show that the IGCC plant with CO capture leads to costs of electricity between 91 and 120 €·MWh , depending on the capture technology employed, compared to 65 €·MWh for the power plant without capture. This results in CO avoidance costs ranging from 42 to 84 €· , mainly linked to the losses in net power output. From both energy and cost points of view, the low-temperature and Rectisol based CO capture processes are the most efficient capture technologies. Furthermore, partial CO capture appears as a good mean to ensure early implementation due to the limited increase in CO avoidance cost when considering partial capture. To go beyond the two specific CO -selective membranes considered, a cost/membrane property map for CO -selective membranes was developed. This map emphasise the need to develop high performance membrane to compete with solvent technology. Finally, the cost of the whole CCS chain was estimated at 54 €· once pipeline transport and storage are taken into consideration.

关键词： carbon capture and storage (CCS)     techno-economic comparison     pre-combustion capture     physical solvent     low-temperature capture    

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Purification of artemisinin from quercetin by anti-solvent crystallization

Chandrakant R. MALWADE, Haiyan QU, Ben-Guang RONG, Lars P. CHRISTENSEN

《化学科学与工程前沿（英文）》 2013年 第7卷 第1期   页码 72-78 doi: 10.1007/s11705-013-1305-x

摘要： In the present work, anti-solvent crystallization of artemisinin from four different organic solvents (methanol, ethanol, acetonitrile, and acetone) was studied. Water was used as anti-solvent. The effect of an impurity (quercetin) on the performance of anti-solvent crystallization of artemisinin was investigated. The fundamental process data such as solubility of artemisinin in pure organic solvents and their binary mixtures with varying composition water were measured at room temperature. The solubility of quercetin was measured only in pure organic solvents at room temperature. Anti-solvent crystallization experiments were designed based on the fundamental process data determined. Firstly, the anti-solvent crystallization of artemisinin without impurity was performed from all four organic solvents and then the experiments were repeated with addition of an impurity (quercetin) while keeping all other process parameters constant. Two different concentrations of impurity, i.e., 10% and 50% of its solubility, in the respective organic solvents at room temperature were used. The effect of impurity on performance of anti-solvent crystallization was evaluated by comparing the yield and purity of the artemisinin obtained with those in the absence of impurity. Results of the present work demonstrated that the presence of quercetin in the solution does not affect the final yield of artemisinin from the solution of each of four organic solvents used. However, the purity of artemisinin crystals were reduced when quercetin concentration was 50% of its solubility in all solvents studied.

关键词： anti-solvent crystallization     artemisinin     quercetin     solubility     Artemisia annua    

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Review of solvent based carbon-dioxide capture technologies

Kathryn A. MUMFORD,Yue WU,Kathryn H. SMITH,Geoffrey W. STEVENS

《化学科学与工程前沿（英文）》 2015年 第9卷 第2期   页码 125-141 doi: 10.1007/s11705-015-1514-6

摘要： Currently, a large proportion of global fossil fuel emissions originate from large point sources such as power generation or industrial processes. This trend is expected to continue until the year 2030 and beyond. Carbon capture and storage (CCS), a straightforward and effective carbon reduction approach, will play a significant role in reducing emissions from these sources into the future if atmospheric carbon dioxide (CO ) emissions are to be stabilized and global warming limited below a threshold of 2 °C. This review provides an update on the status of large scale integrated CCS technologies using solvent absorption for CO capture and provides an insight into the development of new solvents, including advanced amine solvents, amino acid salts, carbonate systems, aqueous ammonia, immiscible liquids and ionic liquids. These proposed new solvents aim to reduce the overall cost CO capture by improving the CO absorption rate, CO capture capacity, thereby reducing equipment size and decreasing the energy required for solvent regeneration.

关键词： large scale     carbon dioxide     carbon capture     solvent absorption    

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Vanadium(IV) solvent extraction enhancement in high acidity using di-(2-ethylhexyl)phosphoric acid with

《化学科学与工程前沿（英文）》 2023年 第17卷 第1期   页码 56-67 doi: 10.1007/s11705-022-2185-8

摘要： Separation of vanadium from black shale leaching solution at low pH is very meaningful, which can effectively avoid the generation of alkali neutralization slag and the resulting vanadium loss. In this study, coordination mechanism of vanadium in acid leaching solution at low pH was investigated with the intervention of chloride ions. Under the conditions of pH 0.8, di-(2-ethylhexyl)phosphoric acid concentration of 20%, phase ratio of 1:2, and extraction time of 8 min, the vanadium extraction could reach 80.00%. The Fourier transform infrared and electrospray ionization results reveal that, despite the fact that the chloride ion in the leachate could significantly promote vanadium extraction, the chloride ion does not enter the organic phase, indicating an intriguing phenomenon. Among Cl−–V, SO42−–V, and H2O–V, the V–Cl bond is longer and the potential difference between coordinate ions and vanadium is smaller. Therefore, VO2+ gets easily desorbed with chloride ions and enter the organic phase. At the same time, the hydrogen ions of di-(2-ethylhexyl)phosphoric acid also enter the water phase more easily, which reduces the pH required for the extraction reaction.

关键词： vanadium     black shale     solvent extraction     high acidity extraction    

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Solvent-resistant porous membranes using poly(ether−ether ketone): preparation and application

《化学科学与工程前沿（英文）》 2023年 第17卷 第10期   页码 1536-1559 doi: 10.1007/s11705-022-2221-8

摘要： Poly(ether−ether ketone) (PEEK) is a linear aromatic macromolecule, which can form semi-crystalline aggregative status, allowing PEEK materials to have strong environment tolerance and excellent physicochemical properties. PEEK materials have become a promising alternative to fabricate particular membranes used in extreme conditions. In the past few decades, many researches and evolutions have emerged in membrane fabrication with PEEK materials and its applications for treating organic solvents and their mixtures; however, there are little systematic and comprehensive literature to summarize fabrication approaches, compile applications, and elaborate PEEK property-structure relationship. In this review, the main approaches to fabricate PEEK-based membranes are illustrated concretely, including conventional thermal-induced and non-solvent-induced phase separation, and novel chemical-induced crystallization; the representative applications in ultrafiltration, nanofiltration and membrane contactor containing organic solvents are demonstrated systematically. Meanwhile, the mechanism to tune PEEK solubility in solvents, which can be achieved by altering monomers in synthesis processes or changing membrane preparation routes, is deeply analyzed. Moreover, the existing problems and the future prospects are also discussed. This review provides positive guidance for designing and fabricating membranes using PEEK and its derivative materials for task-specific applications in harsh conditions.

关键词： PEEK     phase inversion     solvent-resistant membrane     nanofiltration     membrane contactor    

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Theoretical research and application of petrochemical Cyber-physical Systems

Jiming WANG

《工程管理前沿（英文）》 2017年 第4卷 第3期   页码 242-255 doi: 10.15302/J-FEM-2017053

摘要： A petrochemical smart factory is a green, efficient, safe and sustainable modern factory that combines cutting-edge information and communication technology with petrochemical advanced technology and equipment. A Cyber-physical System (CPS) is the infrastructure of a petrochemical smart factory. Based on the future challenges of the petrochemical industry, this paper proposes the definition, connotation and framework of a petrochemical CPS and constructs a CPS system at the enterprise, unit and field levels, respectively. Furthermore, the paper provides theoretical support and implementation reference of a CPS in the petrochemical industry and other industries by investigating the construction practice of a multi-level CPS in the China Petrochemical Corporation (SINOPEC).

关键词： Cyber-physical System (CPS)     petrochemical industry     smart factory    

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Nucleation and growth mechanism of cefodizime sodium at different solvent compositions

Xinwei ZHANG, Shudong ZHANG, Xiaodan SUN, Zequn YIN, Quanjie LIU, Xiwen ZHANG, Qiuxiang YIN

《化学科学与工程前沿（英文）》 2013年 第7卷 第4期   页码 490-495 doi: 10.1007/s11705-013-1350-5

摘要： The induction time of cefodizime sodium was measured in ethanol-water at different solvent compositions by the laser technology measurement. The results indicate that the solvent composition played an important role in the supersaturation and the nucleation process of cefodizime sodium solution. According to the modified classical nucleation theory, the nucleation and growth mechanism were identified. The correlation results show that heterogeneous nucleation dominated the nucleation process at lower supersaturation, where homogeneous nucleation is the most important mechanism at higher supersaturation. Based on the correlated results, the 2D mediated growth mechanism had the highest correlation coefficients ( ), so this mechanism was selected as the proper growth mechanism for cefodizime sodium.

关键词： cefodizime sodium     induction time     primary nucleation     growth mechanism    

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Extraction of hydrogen chloride by a coupled reaction-solvent extraction process

Yunzhao Li,Xingfu Song,Guilan Chen,Shuying Sun,Yanxia Xu,Jianguo Yu

《化学科学与工程前沿（英文）》 2015年 第9卷 第4期   页码 479-487 doi: 10.1007/s11705-015-1512-8

摘要： A coupled reaction-solvent extraction process was used to remove HCl from a simulated distiller waste. The extraction performances of various extractants and diluents were compared and the apparent basicity of N235 (a mixture of tertiary amines) in various diluents was determined. The best results were obtained using N235 and isoamyl alcohol as the extractant and diluent, respectively. The yield of HCl from the coupled extraction was 75% with this extraction system. The mechanisms for the removal of HCl in both the direct and coupled extractions were investigated. For the coupled extraction, the formation of an R NHCl ion-pair complex was involved in the HCl removal. For the direct extraction, the mechanism involved the formation of hydrogen bonds at high concentrations of HCl.

关键词： hydrogen chloride     distiller waste     coupled reaction and solvent extraction     N235     extraction mechanism    

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Selective removal of iron(III) from highly salted chloride acidic solutions by solvent extraction using

Guoping Hu, Yue Wu, Desheng Chen, Yong Wang, Tao Qi, Lina Wang

《化学科学与工程前沿（英文）》 2021年 第15卷 第3期   页码 528-537 doi: 10.1007/s11705-020-1955-4

摘要： Metal ions including Fe , Ca , Mg , Ni , Co and Cu are commonly found in the leaching solution of laterite-nickel ores, and the pre-removal of Fe is extremely important for the recovery of nickel and cobalt. Di(2-ethylhexyl)phosphate acid (D2EHPA) showed high extraction rate and selectivity of Fe over other metal ions. The acidity of the aqueous solution is crucial to the extraction of Fe , and the stoichiometry ratio between Fe and the extractant is 0.86:1.54. The enthalpy for the extraction of Fe using D2EHPA was 19.50 kJ/mol. The extraction of Fe was ≥99% under the optimized conditions after a three-stage solvent extraction process. The iron stripping effects of different reagents showed an order of H C O >NH HCO >HCl>NaCl>NaHCO >Na SO . The stripping of Fe was ≥99% under the optimized conditions using H C O as a stripping reagent.

关键词： solvent extraction     iron     di(2-ethylhexyl)phosphate acid     separation    

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Determination of a suitable index for a solvent via two-column extractive distillation using a heuristic

Zhaoyou Zhu, Guoxuan Li, Yao Dai, Peizhe Cui, Dongmei Xu, Yinglong Wang

《化学科学与工程前沿（英文）》 2020年 第14卷 第5期   页码 824-833 doi: 10.1007/s11705-019-1867-3

摘要： The traditional approach to solvent selection in the extractive distillation process strictly focuses on the change in the relative volatility of light-heavy components induced by the solvent. However, the total annual cost of the process may not be minimal when the solvent induces the largest change in relative volatility. This work presents a heuristic method for selecting the optimal solvent to minimize the total annual cost. The functional relationship between the relative volatility and the total annual cost is established, where the main factors, such as the relative volatility of the light-heavy components and the relative volatility of the heavy-component solvent, are taken into account. Binary azeotropic mixtures of methanol-toluene and methanol-acetone are separated to verify the feasibility of the model. The results show that using the solvent with the minimal two-column extractive distillation index, the process achieves a minimal total annual cost. The method is conducive for sustainable advancements in chemistry and engineering because a suitable solvent can be selected without simulation verification.

关键词： heuristic method     solvent selection     extractive distillation     total annual cost    

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标题 作者 时间 类型 操作

Regulation of radicals by hydrogen-donor solvent in direct coal liquefaction

期刊论文

Micronization of curcumin with biodegradable polymer by supercritical anti-solvent using micro swirl

Kimthet Chhouk, Wahyudiono, Hideki Kanda, Shin-Ichro Kawasaki, Motonobu Goto

期刊论文

Study of an artificial boundary condition based on the damping-solvent extraction method

Qiang XU, Jianyun CHEN, Jing LI, Mingming WANG

期刊论文

Deep eutectic solvent inclusions for high- composite dielectric elastomers

期刊论文

A new procedure combining GC-MS with accelerated solvent extraction for the analysis of phthalic acid

Tingting MA, Ying TENG, Peter CHRISTIE, Yongming LUO, Yongshan CHEN, Mao YE, Yujuan HUANG

期刊论文

Techno-economic comparison of three technologies for pre-combustion CO

Simon Roussanaly, Monika Vitvarova, Rahul Anantharaman, David Berstad, Brede Hagen, Jana Jakobsen, Vaclav Novotny, Geir Skaugen

期刊论文

Purification of artemisinin from quercetin by anti-solvent crystallization

Chandrakant R. MALWADE, Haiyan QU, Ben-Guang RONG, Lars P. CHRISTENSEN

期刊论文

Review of solvent based carbon-dioxide capture technologies

Kathryn A. MUMFORD,Yue WU,Kathryn H. SMITH,Geoffrey W. STEVENS

期刊论文

Vanadium(IV) solvent extraction enhancement in high acidity using di-(2-ethylhexyl)phosphoric acid with

期刊论文

Solvent-resistant porous membranes using poly(ether−ether ketone): preparation and application

期刊论文

Theoretical research and application of petrochemical Cyber-physical Systems

Jiming WANG

期刊论文

Nucleation and growth mechanism of cefodizime sodium at different solvent compositions

Xinwei ZHANG, Shudong ZHANG, Xiaodan SUN, Zequn YIN, Quanjie LIU, Xiwen ZHANG, Qiuxiang YIN

期刊论文

Extraction of hydrogen chloride by a coupled reaction-solvent extraction process

Yunzhao Li,Xingfu Song,Guilan Chen,Shuying Sun,Yanxia Xu,Jianguo Yu

期刊论文

Selective removal of iron(III) from highly salted chloride acidic solutions by solvent extraction using

Guoping Hu, Yue Wu, Desheng Chen, Yong Wang, Tao Qi, Lina Wang

期刊论文

Determination of a suitable index for a solvent via two-column extractive distillation using a heuristic

Zhaoyou Zhu, Guoxuan Li, Yao Dai, Peizhe Cui, Dongmei Xu, Yinglong Wang

期刊论文