基于典型期刊文献计量分析的国内外化工领域研究特点及趋势——对《化工学报》、AIChE Journal、Chemical Engineering Science和Industrial & Engineering Chemistry Research发文分析

基于文献计量方法,利用Scifinder Web数据库,从年发文量、研究机构、索引词、被引文献和施引文献等不同角度对《化工学报》、AICh E Journal、Chemical Engineering Science(CES)和Industrial&Engineering Chemistry Research(IECR)4个国内外主流化工期刊近20年(1996—2015年)发表的49565篇文献,进行了较为全面的探讨,以期为我国化工学科"双一流"建设及同类期刊的发展提供借鉴和参考。中国机构在国际期刊上日益增多的发文量和上升的发文机构排名,显示了近年来国内化工科研强劲的发展势头和国际影响力。同时,国内各机构化工学科的学术研究日益活跃,高水平学术论文成果的产出仅仅集中于少数顶尖科研机构的现象有所变化。《化工学报》与三大主流期刊AICh E Journal、CES和IECR的发文重点及热点基本一致。近10年(2006—2015年),中国机构在"聚合物形态"、"离子液体"、"纳米颗粒"等方面对三大国际期刊发文有较大的贡献。

China＇s Progress for Modern Coal-chemical Industry

介绍了我国现代煤化工项目的投产情况以及近年来取得的自主技术装备广泛应用、带动资源地区经济转型发展等业绩;指出煤化工产业仍存在工艺技术需进一步优化、产业布局难度大、环境保护和碳排放压力大、盈利能力受能源价格影响大等问题;提出扎实做好已投产示范工程达标达产、适时推进升级示范工程有序建设的发展趋势。

A study of fire propagation in coal seam with numerical simulation of heat transfer and chemical reaction rate in mining field

Spontaneous combustion of coal is a problem that affects the mining operation and generates environ-mental,economic,social and geotechnical impacts.This phenomenon has been divided into two pro-cesses:ignition and propagation.Fire propagation develops in coal seams because of a set of factors such as direction and wind speed,fracturing and temperature.In this work,heat transfer and chemical kinetics are studied from conservation equations of energy and species,respectively,using the software COMSOL Multiphysics to simulate the propagation of fires in coal seams.Two possible scenarios were analyzed that usually occur in the walls of the coal seams,such as fire focus and fire complete screens.It was found that the propagation kinetics of the fire changes depending on the temperature,the fractur-ing of rock mass and the area of fire influence.For temperature values lower than 300℃,there is con-sumption around 250 cm^3/h,values around 700℃,the consumption is 1500 cm^3/h,and for fires of 1200℃ have values of 3000 cm^3/h.Depending on the speed of propagation can vary from 4 to 17cm/day,considering on the level and fracturing of the final wall of the open pit.

Spatiotemporal simulation and predication of heavy metal(loid) concentrations in coal chemical industrial areas with a soil environmental capacity model

Heavy metal (loid)(HM) accumulation in the soil and the HM spatiotemporal distribution have important implication for soil pollution prevention and remediation. The present study investigated the concentrations and spatiotemporal distributions of lead (Pb), mercury (Hg), cadmium (Cd), chromium (Cr) and arsenic (As) in the topsoil of a coal chemical plant in Ningxia Aulonomous region (Ningxia), China. Topsoil samples (/?= 153) were obtained using the checkerboard method, and the HM concentrations were determined. The soil residual rates of the five HMs were measured with leaching experinients and were applied in a soil environmental capacity model to predict the quarHitiHive variation of the HM concentrations. The predicted results were employed to estimate the HM spatiotemporal distribution within 2() years with the Kriging technique. The number of sampling sites, where all five HM concentratio ns exceed their corresponding background values in Ningxia, would be increased from 0 to 90% within 1() years of the plant operation. In addition, Pb and Cd were distributed along the traffic routes. Mercury and As were distributed near fuel gas emission vents. Chromium was mainly accumulated in slag dumps. The study may provide the theoretical and practical foun d at ion for future HM pollution control in coal chemical plants.

Experimental investigation and theoretical modeling on scale behaviors of high salinity wastewater in zero liquid discharge process of coal chemical industry

Zero liquid discharge(ZLD)treatment and reuse equipment of high salinity wastewater in coal-chemical industry often occur in various types of blockage problems because of high salt content,affecting the long-term stability of the device.In this study,the effects of solution temperature,steel,reaction time and wall roughness on fouling were investigated.The changes in the contents of fouling and fouling substances were qualitatively and quantitatively analyzed by XRD and EDS respectively,and the formation of scale was observed by SEM.The results show that with temperature increasing,Q235 steel is the most difficult to scale.Scaling rate of all salt scales reaches a maximum after 12 h,and the fouling rate decreases significantly from 12 to 48 h.It gradually stabilizes at 48 to 96 h.With the roughness increasing,the thickness of fouling layer increases,and a linear relationship is presented for 1 to 10 h.By comparing actual and simulated wastewater scaling rates,the relationship between actual and simulated wastewater scaling rates is y=ax-0.494.The composition of the scale was analyzed,calcium carbonate is the main product and increases with fouling time.Based on the above-mentioned results combining literatures,the hybrid prediction model with calcium carbonate as the main product is put forward.It is discussed microscopically that calcium carbonate is converted from aragonite and vaterite in a thermodynamically metastable state to calcite in a thermodynamically stable state.

A review on nitrogen transformation and conversion during coal pyrolysis and combustion based on quantum chemical calculation and experimental study

The emission of NOx during coal combustion contributes to the formation of acid rain and photochemical smog,which would seriously affect the quality of atmospheric environment.Therefore,the decrease of NOx is of great importance for improving the efficient utilization of coal.The present review comprehensively summarized the influence factors and mechanisms of migration and transformation of nitrogen during the coal pyrolysis and combustion based on experimental study and quantum chemical calculation.Firstly,in the process of pyrolysis:the occurrence state and transformation of nitrogen were concluded.The influence of temperature,atmosphere,heating rate and catalyst on formation of NOx precursor and nitrogen migration path at the molecular level were summarized;Secondly,during the process of combustion:the influence of temperature,ambient oxygen concentration,physical structure of coal char,catalyst on heterogeneous oxidation of char(N)were summarized;The effects of char surface properties,catalyst and ambient atmosphere on heterogeneous reduction of NOx were also concluded.Based on the quantum chemical calculation,the reaction path of heterogeneous oxidation of char-N and heterogeneous reduction of NOx were described in detail.Current studies focus more on the generation of HCN and NH3,but in order to reduce the pollution of NOx from the source,it is necessary to further improve the process conditions and the optimal formula of producing more N2 during pyrolysis,as well as clarify the path of the generation of N2.Experiments study and quantum chemistry calculation should be combined to complete the research of directional nitrogen reduction during pyrolysis and denitration during combustion.

Computational chemical engineering–Towards thorough understanding and precise application

The paradigms of chemical engineering discipline are discussed. The first paradigm of Unit Operations and the second paradigm of Transport Phenomena are well recognized among the chemical engineers all over the world, and what the next paradigm is remains still an open question. Several proposals such as Chemical product engineering, Sustainable chemical engineering and Multi-scale methodology are considered as candidates for next paradigm. Might Computational Chemical Engineering be the next one, which is advancing the discipline of chemical engineering toward ultimate mechanism-based understanding of chemical processes? This possibility is comparatively expounded with other proposals, and the scope and depth of computational chemical engineering are shortly listed.

An Overview of Metal-Organic Frameworks for Green Chemical Engineering

Given the current global energy and environmental issues resulting from the fast pace of industrialization,the discovery of new functional materials has become increasingly imperative in order to advance science and technology and address the associated challenges.The boom in metal–organic frameworks(MOFs)and MOF-derived materials in recent years has stimulated profound interest in exploring their structures and applications.The preparation,characterization,and processing of MOF materials are the basis of their full engagement in industrial implementation.With intensive research in these topics,it is time to promote the practical utilization of MOFs on an industrial scale,such as for green chemical engineering,by taking advantage of their superior functions.Many famous MOFs have already demonstrated superiority over traditional materials in solving real-world problems.This review starts with the basic concept of MOF chemistry and ends with a discussion of the industrial production and exploitation of MOFs in several fields.Its goal is to provide a general scope of application to inspire MOF researchers to convert their focus on academic research to one on practical applications.After the obstacles of cost,scale-up preparation,processability,and stability have been overcome,MOFs and MOF-based devices will gradually enter the factory,become a part of our daily lives,and help to create a future based on green production and green living.

State of the art review on physiochemical and engineering characteristics of fly ash and its applications

The focus of this study is to critically review the physiochemical and engineering properties of the fly ash and its applications in various fields.The utilization of fly ash has become a widespread area,but the amount of utilization is still a serious issue.It has many beneficial qualities(such as pozzolanic property,fineness,spherical shape,lightweight,etc.),which enhance its properties and make it suitable for its utilization as a new construction material.For the bulk utilization of fly ash,it should be employed in the areas independent of any other parameters.So that,the disposal problem can be reduced significantly.The knowledge of its physiochemical characteristic helps in the judgment of appropriate fly ash for any particular type of work.Fly ash can be utilized in other areas such as asphalt concrete,geopolymer concrete,ground improvement,agricultural sector,roller compacted concrete,brick,etc.that will reduce the existing ashes,and also the disposal problem can be solved appreciably.The implementation of fly ash must be avoided below the natural ground water level and below 4°C temperature conditions.

Experimental and mechanistic study on chemical looping combustion of caking coal

Under high-temperature batch fluidized bed conditions and by employing juye coal as the raw material,the present study determined the effects of the bed material,temperature,OC/C ratio,steam flow and oxygen carrier cycle on the chemical looping combustion of coal.In addition,the variations taking place in the surface functional groups of coal under different reaction times were investigated,and the variations achieved by the gas released under the pyrolysis and combustion of Juye coal were analyzed.As revealed from the results,the carbon conversion ratio and rate were elevated significantly,and the volume fraction of the outlet CO_(2)remained more than 92%under the oxygen carriers.The optimized reaction conditions to achieve the chemical looping combustion of Juye coal consisted of a temperature of 900℃,an OC/C ratio of 2,as well as a steam flow rate of 0.5 g·min^(-1).When the coal was undergoing the chemical looping combustion,volatiles primarily originated from the pyrolysis of aliphatic-CH_(3)and-CH_(2),and CO and H_(2)were largely generated from the gasification of aromatic carbon.In the CLC process,H_(2)O and CO_(2)began to separate out at 270℃,CH4 and tar began to precipitate at 370℃,and the amount of CO_(2)was continuously elevated with the rise of the temperature.

Chemical looping gasification of maceral from low-rank coal: Products distribution and kinetic analysis on vitrinite

The product distribution and kinetic analysis of low-rank coal vitrinite were investigated during the chemical looping gasification(CLG)process.The acid washing method was used to treat low-rank coal,and the density gradient centrifugation method was adopted to obtain the coal macerals.By combining thermogravimetric analysis and online mass spectrometry,the influence of the heating rate and oxygen carrier(Fe2O3)blending ratio on product distribution was discussed.The macroscopic kinetic parameters were solved by the Kissinger-Akahira-Sunose(KAS)method,and the main gaseous product formation kinetic parameters were solved by the iso-conversion method.The results of vitrinite during slow heating chemical looping gasification showed that the main weight loss interval was 400–600℃,and the solid yield of sample vitrinite-Fe-10 at different heating rates was 64.30%–69.67%.When b=20℃·min^(-1),the maximum decomposition rate of vitrinite-Fe-10 was 0.312%min1.The addition of Fe2O_(3)reduced the maximum decomposition rate,but by comparing the chemical looping conversion characteristic index,it could be inferred that the chemical looping gasification of vitrinite might produce volatile substances higher than the pyrolysis process of vitrinite alone.The average activation energy of the reaction was significantly reduced during chemical looping gasification of vitrinite,which was lower than the average activation energy of 448.69 kJ·mol^(-1) during the pyrolysis process of vitrinite alone.The gaseous products were mainly CO and CO_(2).When the heating rate was 10℃·min^(-1),the highest activation energy for CH4 formation was 21.353 kJ·mol^(-1),and the lowest activation energy for CO formation was 9.7333 kJ·mol^(-1).This study provides basic data for exploring coal chemical looping gasification mechanism and reactor design by studying the chemical looping gasification process of coal macerals。

Effect of chemical conditioning on the triboelectrification of coal and mineral particles

Chemical conditioning was used to modify the triboelectrification of coal and mineral particles.The chemicals tested included starch,lignin,kerosene,ethanol,acetic acid,salicylic acid,sodium oleate,Sodium Hexametaphosphate(SH),sodium silicate, Sodium Dodecylbenzenesulfonate(SDBS),Sodium Bicarbonate(SB) and ammonia.A high-speed,dry mixing method was employed.The charge-to-mass ratio of the coal and mineral samples,both untreated and treated,was tested using a Faraday cup. Dielectric constants were determined by measuring capacitance.It is found that the selectivity of the additives toward coal or minerals is not consistent.Salicylic acid is the optimal additive to enhance the triboelectrification performance of coal samples.Starch, lignin and sodium oleate are suitable for removal of pyrite.SH,sodium silicate,SDBS,SB and ammonia are suitable additives for the removal of ash-forming minerals.

Advances in Chemical Engineering-A Review of Petrochemical Industry in China

Chemical engineering has played an important role in the development of petrochemical industry. Some important advances in chemical engineering have been discussed in detail, i. e. petroleum refining, organic chemicals,synthetic resin, synthetic fibers and relevant raw materials, synthetic rubber, and process energy integration. The main business targets of China Petroleum & Chemical Corporation (SINOPEC Corp.) and the focus of further researches are also addressed.

Geochemical characteristics of REY, Li, Ga trace elements in the No. 9 coal seam of the Daheng mine, Ningwu coalfield, Shanxi Province, China

To understand the geochemical characteristics of the No.9 coal in the Daheng Mine of the Ningwu coalfield,the trace element analysis was conducted through X-ray fluorescence spectroscopy(XRF)and inductively coupled plasma mass spectrometry(ICP-MS).The sedimentary environment was discussed according to the element geochemical parameters.The results show that Li,Ga,Hf,Zr,Nb,Th,and Ta are slightly enriched in the No.9 coal of Daheng Mine.The average value of the rare earth elements and yttrium(ΣREY)in coal here is 144.20μg/g(excluding parting),which is higher than the average value ofΣREY in the world’s coal and China’s coal.The light rare earth elements(LREY)are enriched.The content of Eu was 0.12‒2.10μg/g with an average of 0.57μg/g,and the Eu is obviously negatively abnormal.Most of the trace elements in the coal are positively correlated with the ash content,which shows that the occurrence of these trace elements is related to inorganic minerals.The results of sequential chemical extraction experiments show that rare earth elements mainly exist in coal in the form of aluminosilicate.The value of the Sr/Ba and the content of S reflect that the coal-forming environment was influenced by seawater.The values of V/Cr and Ni/Co reflect that the peat swamp is in an anaerobic environment and a strongly reducing environment during the coal-forming period.

A Case Study of Search Engine on World Wide Web for Chemical Fiber Engineering

Search engine is an effective approach to promote the service quality of the World Wide Web. On terms of the analysis of search engines at home and abroad, the developing principle of search engines is given according to the requirement of Web information for chemical fiber engineering. The implementation method for the communication and dynamic refreshment of information on home page of the search engines are elaborated by using programming technology of Active Server Page 3.0 (ASP3.0). The query of chemical fiber information and automatic linking of chemical fiber Web sites can be easily realized by the developed search engine under Internet environment according to users' requirement.

Green microfluidics in microchemical engineering for carbon neutrality

The concept of“carbon neutrality”poses a huge challenge for chemical engineering and brings great opportunities for boosting the development of novel technologies to realize carbon offsetting and reduce carbon emissions.Developing high-efficient,low-cost,energy-efficient and eco-friendly microfluidicbased microchemical engineering is of great significance.Such kind of“green microfluidics”can reduce carbon emissions from the source of raw materials and facilitate controllable and intensified microchemical engineering processes,which represents the new power for the transformation and upgrading of chemical engineering industry.Here,a brief review of green microfluidics for achieving carbon neutral microchemical engineering is presented,with specific discussions about the characteristics and feasibility of applying green microfluidics in realizing carbon neutrality.Development of green microfluidic systems are categorized and reviewed,including the construction of microfluidic devices by bio-based substrate materials and by low carbon fabrication methods,and the use of more biocompatible and nondestructive fluidic systems such as aqueous two-phase systems(ATPSs).Moreover,low carbon applications benefit from green microfluidics are summarized,ranging from separation and purification of biomolecules,high-throughput screening of chemicals and drugs,rapid and cost-effective detections,to synthesis of fine chemicals and novel materials.Finally,challenges and perspectives for further advancing green microfluidics in microchemical engineering for carbon neutrality are proposed and discussed.

Effect of demineralization on pyrolysis characteristics of LPS coal based on its chemical structure

The critical issue in developing mature Oxy-Coal Combustion Steam System technology could be the reactivity of deminer-alized coal which,is closely related to its chemical structure.The chemical structures of Liupanshui raw coal(LPS-R)and Liupanshui demineralized coal(LPS-D)were analyzed by FTIR and solid-state 13C-NMR.The pyrolysis experiments were carried out by TG,and the pyrolysis kinetics was analyzed by three iso-conversional methods.FTIR and 13C-NMR results suggested that the carbon structure of LPS coal was not altered greatly,while demineralization promoted the maturity of coal and the condensation degree of the aromatic ring,making the chemical structure of coal more stable.The oxygen-containing functional groups with low bond energy were reduced,and the ratio of aromatic carbon with high bond energy was increased,decreasing the pyrolysis reactivity.DTG curve-fitting results revealed that the thermal weight loss of LPS coal mainly came from the cleavage of aliphatic covalent bonds.By pyrolysis kinetics analysis of LPS-R and LPS-D,the apparent activation energies were 76±4 to 463±5 kJ/mol and 84±2 to 758±12 kJ/mol,respectively,under different conversion rates.The reactivity of the demineralized coal was inhibited to some extent,as the apparent activation energy of pyrolysis for LPS-D increased by acid treatment.

Application of High-pressure Flat Membranes in Coal Chemical Wastewater Treatment

In the process of using high-pressure flat membranes to treat coal chemical wastewater,the effects of high-pressure flat membranes on the concentration of salt ions and the removal of pollutants were studied under the conditions of different concentrations of influent TDS,COD and silicon dioxide.The results showed that when the concentration of influent TDS was 35 000-55 000 mg/L,the economic benefit of high-pressure flat membrane operation was the best,and the concentration ratio of high-pressure flat membranes was stable,varying from 3.3 to 3.6.As the concentration of influent organic matter ranged from 100 to 1 800 mg/L,the removal rate of organic matter ranged from 60% to 79%.In addition,the retention rate of high-pressure flat membranes to silicon dioxide was more than 90%.

Migration of sulfur in in-situ gasification chemical looping combustion of Beisu coal with iron-and copper-based oxygen carriers

Chemical looping combustion(CLC)is an energy conversion technology with high efficiency and inherent separation of CO_(2).The existence of sulfur in coal may affect the CO_(2) purity and the performance of oxygen carrier due to the interactions between sulfur contaminants and oxygen carrier.The migration of sulfur in Beisu coal during the in-situ gasification chemical looping combustion(i G-CLC)process using two oxygen carriers(iron ore and Cu O/Si O_(2))was investigated respectively.The thermodynamic analysis results showed the formation of metal sulfides was thermodynamically favored at low temperatures and low oxygen excess coefficients,while they were obviously inhibited and the production of SO_(2) was significantly promoted with an increase in temperature and oxygen excess coefficient.Moreover,part of sulfur was captured and fixed in the forms of alkali/alkaline earth metal sulfate due to the high amount of alkali/alkaline earth metal oxides in the coal ash or/and oxygen carrier.The experimental results showed that the sulfur in coal mainly released in the form of SO_(2),and the sulfur conversion efficiency(XS)in the reduction stage were 51.04%and 48.24%when using iron ore and Cu O/Si O_(2) respectively.The existence of metal sulfides was observed in the reduced oxygen carriers.The values of XSin the reoxidation process reached 3.80%and 7.64%when using iron ore and Cu O/Si O_(2) respectively.The residue and accumulation of sulfur were also found on the surfaces of two oxygen carriers.

Microinterfacial technology enhancing mass transfer in chemical engineering

The microbubble and microinterface play key roles in the development and progress of the technology in the field of chemical engineering,which has attracted broad attention from the scientific and industrial community.Recently,Zhang et al.published a book about microinterfacial mass transfer intensification technology,where they systematically introduced scientific essence,reaction mechanism,equipment structure,and influence law of multiphase reaction process strengthened by microinterface.I believe this book can promote the technological innovation of microbubble-related processes,and also the development of the green chemical industry!