Design method of extractant for liquid-liquid extraction based on elements and chemical bonds

In the petrochemical industry process, the relative volatility between the components to be separated is close to one or the azeotrope that systems are difficult to separate. Liquid-liquid extraction is a common and effective separation method, and selecting an extraction agent is the key to extraction technology research. In this paper, a design method of extractants based on elements and chemical bonds was proposed. A knowledge-based molecular design method was adopted to pre-select elements and chemical bond groups. The molecules were automatically synthesized according to specific combination rules to avoid the problem of “combination explosion” of molecules. The target properties of the extractant were set, and the extractant meeting the requirements was selected by predicting the correlation physical properties of the generated molecules. Based on the separation performance of the extractant in liquid-liquid extraction and the relative importance of each index, the fuzzy comprehensive evaluation membership function was established, the analytic hierarchy process determined the mass ratio of each index, and the consistency test results were passed. The results of case study based on quantum chemical analysis demonstrated that effective determination of extractants for the analysis of benzene-cyclohexane systems. The results unanimously prove that the method has important theoretical significance and application value.

Estimating heat capacities of liquid organic compounds based on elements and chemical bonds contribution

Molecular property depends on the property, the number of the elements, and the interaction between elements(such as chemical bonds). Based on the above-mentioned idea, two methods to estimate the isobaric heat capacity of liquids organic compounds were developed. Ten elements groups and 32 chemical bond groups were defined by considering the structure of organic compounds. The group contribution values and correlation parameters were regressed by the ridge regression method with the experiment data of 1137 compounds. The heat capacity can be calculated by summating the contributions of the elements and chemical bond groups. The two methods were compared with existing group contribution methods, such as Chickos, Zabransky-Ruzicka, and Zdenka Kolska. The results show that those new estimation methods' overall average relative deviations were 5.81% and 5.71%, which were lower than the other three methods. Those methods were more straightforward in compound splitting.Those new methods can be used to estimate the liquid heat capacity of silicon-containing compounds,which the other three methods cannot estimate. The new methods are more accessible, broader, and more accurate. Therefore, this research has important scientific significance and vast application prospects.

The Background Features and Formation of Chemical Elements of Groundwater in the Region of the Middle and Lower Reaches of the Yangtze River

The paper deals with the background features, formation and distribution of the chemical el-ements K, Na, Ca, Mg, Si, Fe, Mn, Cr, Ni,V, Co, Ti, Mo, Cu, Pb, Zn, As, Hg, Cd, Be, Li, Sr, B,F, Cl, Br and I in the groundwater in the region of the middle and lower reaches of the YangtzeRiver and their relations to the composition of the water-bearing media, properties of the overly-ing rocks and soils, redox environment, and groundwater flow condition, mineralization and pHof groundwater.

Phases of Environmental Evolution Indicated by Primary Chemical Elements and Paleontological Records in the Upper Pleistocene-Holocene Series for the Salawusu River Valley,China

Studies of lithology, sedimentary facies and the distribution regularity of SiO2 and Al2O3 contents and Al2O3/SiO2 ratio allow us to divide the Upper Pleistocene-Holocene Series represented by the MUanggouwan section in China＇s Salawnsu River valley into six segments： MGS1, MGS2, MGS3, MGS4, MGS5 and MGS6. The boundary ages for MGS1 （the Dishaogouwan and Dagouwan Formations）, MGS2 （the upper Chengchuan Formation）, MGS3 （the middle Chengchuan Formation）, MGS4 （the lower Chengchuan Formation）, MGS5 （most strata of the Salawusu Formation） and MGS6 （the bottom of the Salawusu Formation and the top of the Lishi Formation） correspond to those of MIS1, MIS2, MIS3, MIS4, MISS and MIS6, respectively, from deep sea sediments or continental glaciers. MGS5 can be subdivided into five subsegments （MGS5a, MGS5b, MGS5c, MGS5d and MGS5e） and the boundary ages of these subsegments correspond to those of MISSa, MISSb, MIS5c, MIS5d and MIS5e, respectively. Based on the paleoenvironment and paleoecology indicated by the primary chemical elements, fossil vertebrates, mollusks and pollen grains, we hypothesize that MGS1, MGS2, MGS3, MGS4, MGS5 and MGS6 and the subsegments of MGS5 match the corresponding stages for oxygen isotopes in the deep sea sediments and continental glaciers, and the substages of MIS5 in terms of climatic characters, further explaining the phenomena that determined the formation of the late Quaternary strata and the paleontology of the Salawusu River valley. These phenomena relate to fluctuations in the global climate （and particularly in the East Asian monsoon） during the glacial and interglacial periods.

THE EFFECT OF DRAINAGE ON CHEMICALELEMENTS CONTENT OF MARSH

This paper takes marsh in the Sanjiang Plain as an example in order to research the effect of draining on the chemical elements in marsh. The Sanjiang Ecological Test Station of Mire and Uetland serves as the resarch base. The authors selected soil samples in the Sanjiang Plain (the top and the end of the drain, marsh soil and degeneration marsh soil), mainly analyzed contents of main ions (HCO 3 ? , Cl?, SO 4 2? and NO 3 ? ), main heavy metals (Fe, Mn, Zn and Cu), nutritive elements (N, P, K), organic matter and pH value. By testing these samples as above, the paper initially researches the effect on chemical elements content by draining by the means of the contrast of chemical elements contents between marsh soil and degenerative marsh soil and different characteristics of marsh soil elements. Results show that a lot of chemical elements had been lost because of draining.

Concentration Characteristics and Sources of Chemical Elements in Atmospheric Fine Particles (PM_(2.5)) in Autumn in Xi'an City

[Objective] The aim was to study the concentration characteristics and sources of chemical elements in atmospheric fine particles (PM2.5) in autumn in Xi’an City. [Method] By means of mini-volume sampler, PM2.5 samples in atmosphere in Xi’an were collected in October 2009, and the concentration characteristics and sources of elements in PM2.5 were analyzed. [Result] The average mass concentration of PM2.5 in atmosphere in autumn in Xi’an City was 168.44 μg/m3 which was higher than that of Beijing and Pearl River Delta area, and the minimum and maximum value were 53.29 and 358.16 μg/m3, respectively. The mass concentration of S, Zn, K, Cl, Ca and Fe in PM2.5 was above 1.0 μg/m3, being at high pollution level. In addition, K had obvious correlation with organic carbon (OC) and element carbon (EC), with the correlation coefficients of 0.76 and 0.75 (P<0.000 1), respectively, and it showed that OC and EC had the same source as K, namely biomass burning had certain contribution to OC and EC. Enrichment factors analysis revealed that K, Ca, Fe, Ti, Mn and Cr mainly came from earth crust, rock weathering and other natural sources, while anthropogenic pollution sources had great effects on S, Zn, Cl, Pb, Br, Mo, Cd and As which were affected by soil dust and other natural sources slightly, and Cd had the highest enrichment factor and mainly came from metal smelting. In a word, coal combustion, biomass burning, vehicle emissions, metallurgical, chemical industry and dust were the main sources of PM2.5 in autumn in Xi’an. [Conclusion] The study could provide theoretical foundation for the control of urban environmental pollution.

Chemical element transfer of weathering granite regolith in the Three Gorges Dam region of Yangtze River

Clearing up sediment and regolith on the foundation of the dam in the Three Gorges of the Yangtze River in 1999, riverbed were exposed. On the basis of weathering granite regolith sampled from different portions of the valley landforms, by analysing total chemical contents with X rays fluorescent slice and calculating proper value of chemical element transferring ratio and intensity, the transferring law of chemical elements in different portions of the landforms were concluded: 1) In various landforms of the river valley, the process of desilication is not distinct; 2) in weathering granite regolith of riverbed, easy soluble CaO and MgO are relatively enriched whereas Al2O3 tends to decrease. The enriching rate of Fe2O3 is the greatest in various landforms of the river valley; 3) in weathering granite regolith of flood-plain, K2O and MgO contents are relatively enriched; 4) the weathering granite regolith of valley slope is a typical north subtropical weathering regolith, and its chemical weathering degree is in the transition phase from early to middle period; and 5) there is an opposite layer where K2O is relatively leaching and Na2O relatively enriching in 6.5 m depth of all weathering granite regolith.

Comparison of 66 chemical element contents in normal and benign hyperplastic prostate

Objective:The aim of this study was to clarify the differences between the prostatic levels of chemical elements in patients with benign prostatic hyperplasia(BPH)and healthy male.Methods:We evaluated the prostatic level of 66 chemical elements in 43 patients with BPH and 37 healthy males.Measurements were performed using five instrumental analytical methods.Results:In the hyperplastic prostates,we have observed a significant increase in the mean level of Bi,Cr,Hg,K,Sb,and Se accompanied a significant decrease in the mean level of Al,Ce,Cs,Dy,Er,Gd,Ho,La,Mo,Nd,Pb,Pr,Sm,Sn,Tb,Tm,U,and Y.No differences were found in the mean prostatic level of other chemical elements including Ag,Al,Au,B,Ba,Be,Br,Ca,Cd,Co,Cu,Fe,Li,Mg,Mn,Na,Nb,Ni,P,Rb,S,Sc,Si,Th,Ti,Tl,Yb,Zn,and Zr between BPH patients and healthy males.Conclusions:The finding of chemical element contents and correlation between pairs of chemical element mass fractions indicates that there is a great disturbance of prostatic chemical element metabolism in BPH gland.Trace elements Bi,Cr,Hg,K,Sb,and Se may be regarded as the possible tissue biomarkers of hyperplastic transformation of prostate gland.Obtained data did not confirm a critical role of Cd and Pb accumulation in the pathogenesis of BPH.A potential age-related Zn,Fe,and Se deficiency in the prostate tissue has not been found as being involved in the etiology of BPH.

The Astrophysical Processes of Cosmological Hydrogen that Generate the Chemical Elements that Make up the Universe

The objective of the present article is to explain how all the chemical elements were formed from the big bang generated element: hydrogen. The methodology used was to analyze the main cosmological and astrophysical processes in order to explain the origin of all the known chemical elements. The main results are: Hydrogen cannot be formed in any part of the actual universe;it must come from the Big Bang. Helium and a little bit of lithium can have a cosmological origin associated to the Big Bang nucleosynthesis and the recombination process. The elements with an atomic number between 3 and 26 were, and continue to be, synthetized by nuclear fusion reactions inside the core of massive stars and liberated by explosion when the stars go supernovae, at the end of their lives. In the process of going supernova, elements with a medium atomic number, between 27 and 40, are created. All the elements with an atomic number larger than 40 were generated by neutron star collisions. When Mendeleev and Lothar Meyer designed an ordered arrangement of chemical elements, their tables included the 63 chemical elements known in 1869. A century and a half later, the known elements are 118. By studying different topics related to the elements, it was possible to uncover fundamental particles, such as quarks and leptons, and the strong and weak nuclear forces that form the baryonic part of the universe. The Sun was formed 6000 million years ago and its planets, including earth, were formed 4600 million years ago when and where there were debris of different stars that went supernova, in particular 1A type, and also debris, of at least one of a binary neutron star collision, so to attain, all the elements that have been identified in the solar system, and especially in earth. In addition, the current “periodic table” includes 26 synthetic elements that were produced in neutron star collisions but, because of their short lifetimes, they are not found, on earth. The vast quantities of the elements, produced during the aforementioned astrophysical processes, clustered into planets, stars and galaxies;and at least in one planet, our earth, some chemical elements organized themselves into living creatures.

Principles of Technology for Bottling Medicinal Mineral Waters of Sairme Using the Example of Source №3a

Sairme mineral water, one of the famous mineral waters in Georgia, is renowned for its exceptional healing properties. The distinctiveness and therapeutic benefits of the naturally sourced mineral water, known as “Sairme”, stem from its rich array of microelements, notably including iron and manganese. Since 1948, the bottling of Sairme mineral water has been a prominent activity. Named after the Sairme deposit, this mineral water is packaged in various formats to cater to diverse consumer preferences. The bottling process involves transporting the mineral water from wells to the bottling plant through pipelines. Prior to bottling, the mineral water undergoes meticulous processing stages in adherence to current Georgian and international regulations. This process ensures that the concentration of trace elements in the bottled water is minimized, maintaining its purity and quality. Given the importance of preserving the microelements present in bottled mineral water, our research is dedicated to optimizing the technological process. Our objective is to safeguard the valuable microelements while ensuring the highest standards of quality and safety in the final product.

Digital Element Earth

The resources and environmental problems are the two most fundamental issues facing all nations in the world. Everything in and on the Earth - minerals, animals and plants -is made from one, or generally some combination of, chemical elements, which are scientifically listed in the periodic table. Thus it is important to understand the present abundance and spatial distribution of all the elements across the Earth＇s surface. Such kinds of data can only be obtained at present and for the foreseeable future by on-earth geochemical mapping at all scales. The 30-year efforts made by Chinese geochemists in carrying out multi-element, multi-media, multi-scale geochemical mapping projects to delineate 39-76 element distribution at home and abroad culminated in a successful case of high- quality geochemical data acquirement. The new idea for a four-level plan for global geochemical mapping was advanced to obtain global data in the foreseeable future and the collection of updated geochemical information. Such information needs to be easily accessible not only by the science community, but also by industry, agriculture, governments, and even individuals, by all who would make an effort to promote sustainable riving on our planet. The concept of a Digital Element Earth （DEE） fulfills the aims.

Assessment of soil degradation and chemical compositions in Rwandan tea-growing areas

This study has focused on the processes of soil degradation and chemical element concentration in tea-growing regions of Rwanda,Africa.Soil degradation accelerated by erosion is caused not only by topography but also by human activities.This soil degradation involves both the physical loss and reduction in the amount of topsoil associated with nutrient decline.Soil samples were collected from eleven tropical zones in Rwanda and from variable depth within each collecting site.Of these,Samples from three locations in each zone were analyzed in the laboratory,with the result that the pH of all soil samples is shown to be less than 5（pH〈5） with a general average of 4.4.The elements such as iron（Fe）, copper（Cu）,manganese（Mn）,and zinc（Zn） are present in high concentration levels.In contrast calcium （Ca） and sodium（Na） are present at low-level concentrations and carbon（C） was found in minimal concentrations.In addition,elements derived from fertilizers,such as nitrogen（N）,phosphorous（P）,and potassium（K） which is also from minerals such as feldspar,are also present in low-level concentrations. The results indicate that the soil in certain Rwandan tea plantations is acidic and that this level of pH may help explain,in addition to natural factors,the deficiency of some elements such as Ca,Mg,P and N.The use of chemical fertilizers,land use system and the location of fields relative to household plots are also considered to help explain why tea plantation soils are typically degraded.

Application and Verification of Logarithmic LinearCorrelation Model of Element Contents Between Tree Ringsand Soils near the Tree Roots

Nine Platanus acerifolia (Ait.) Willd. trees growing in the Nanjing Children Teacher’s School, Nanjing,China, were selected to determine the contents of 13 chemical elements both in the 1994’s growth rings,C(Z, t), and in the soils near the roots, C’(Z, t), of the trees. The results showed that the relationship between C(Z, t) and C’(Z, t) followed the logarithmic linear correlation model, lgC’(Z, t)=a(Z)+b(Z) ig C (Z, t).Based on this model the chrono-sequences of chemical element contents in the soils were reproduced from those in the tree rings; i.e., the dynamic variations in the chemical element contents of the soils at the sites were traced. In this study the chrono-sequences of the chemical elements including Cd, Ph, Mn, Co and Zn in the soils near the roots of a Platanus acerifolia tree from 1957 to 1994 were established, and the background values of Cd, Pb, Mn, Co and Zn in the soil were calculated by taking the lowest values of the chrono-sequences of the element contents as upper limits of the background values.

The Theory of Four Elements Through History and Its Influence on the Development of Chemistry

The theory of four elements(or roots)was the first plural attempt to explain life and change and was based on the combination of four different roots that give rise to life and matter.The four elements(fire,air,water and earth)were thought to be the building blocks of all substances.This theory was derived from observation and reason and it might be viewed as a material or substancialist theory.Its development brought important concepts such as equilibrium,proportion and combination to chemistry and medicine.The aim of the present paper is to describe the theory of four elements,its origin and development from Empedocles and Aristotle to Roulle and Beeckman.Although the conception of the chemical elementsin modern chemistry is different from the theory of four elements,that theory was valuable as an intellectual effort to understand nature and transmutation and to conciliate reason and senses,besides being the first theory postulating the pluralism of matter’s composition,in opposition to monism.I argue that chemistry has a past and it is important to know the theory of the four elements for its historical value because it can be considered an introductory chapter of chemistry,introducing the concepts of indestructible elements and the proportional combination of them in Western thought.

沙地草场植物根系化学元素含量的特征

本文报道了内蒙古沙地草场不同植物根系的化学元素含量特征。结果表明:51种植物根系的N、P、K、Si、Na、Fe和灰分的平均含量分别为1.08%、0.104%、0.686%、0.811%、0.049%、0.030%和6.416%。其中相同植物根系的N、P、K、Na和灰分的含量低于其地上部分的平均含量,而Si和Fe相反,根系的平均含量高于其地上部分。

Size distribution of chemical elements and their source apportionment in ambient coarse, fine, and ultrafine particles in Shanghai urban summer atmosphere

Ambient coarse particles （diameter 1.8-10 μm）, fine particles （diameter 0.1-1.8 μm）, and ultrafine particles （diameter 〈 0.1 μm） in the atmosphere of the city of Shanghai were sampled during the summer of 2008 （from Aug 27 to Sep 08）. Microscopic characterization of the particles was investigated by scanning electron microscopy coupled with energy dispersive X-ray spectroscopy （SEM/EDX）. Mass concentrations of Si, P, S, Cl, K, Ca, Ti, V, Cr, Mn, Fe, Ni, Cu, Zn, As, Se, Br, Rb, Sr, and Pb in the size-resolved particles were quantified by using synchrotron radiation X-ray fluorescence （SRXRF）. Source apportionment of the chemical elements was analyzed by means of an enrichment factor method. Our results showed that the average mass concentrations of coarse particles, fine particles and ultrafine particles in the summer air were 9.38 ± 2.18, 8.82 ± 3.52, and 2.02 ± 0.41 μg/m3, respectively. The mass percentage of the fine particles accounted for 51.47% in the total mass of PM10, indicating that fine particles are the major component in the Shanghai ambient particles. SEM/EDX results showed that the coarse particles were dominated by minerals, fine particles by soot aggregates and fly ashes, and ultrafine particles by soot particles and unidentified particles. SRXRF results demonstrated that crustal elements were mainly distributed in the coarse particles, while heavy metals were in higher proportions in the fine particles. Source apportionment revealed that Si, K, Ca, Fe, Mn, Rb, and Sr were from crustal sources, and S, Cl, Cu, Zn, As, Se, Br, and Pb from anthropogenic sources. Levels of P, V, Cr, and Ni in particles might be contributed from multi-sources, and need further investigation.

Deposition of sandstorms in a vegetation-covered sand dune in Ejin Oasis and its characteristics

＂Ejin Section＂ found in a typical vegetation-covered sand dune in Ejin Oasis was investigated. In this study, 263 samples were taken from the section for grain-size analysis, 25 for chemical analysis, 11 for ^14C dating and 6 for scanning electron microscope （SEM）. The results of the study indicate that 3 types of the sediments in the section can be identified, YS, LS and ST. YS, homogeneous yellow-brown dune sands, is equal to those of inland deserts, LS, loess-like sandy soils, is the same as the sandy loess in the middle Yellow River and modem falling dusts, and ST, sandy sediments interbeded with the deadwood and defoliation of Tamarix spp, represents the depositional process of the section interrupted by abrupt changes in climate. The Ejin Section has recorded the repeated dust-storms or sandstorms since 2500 yr BP and the peak periods of the dust-storms or sandstorms revealed by the section are consistent with the records of ＂dust rains＂ in historical literatures, indicating that the change of climate is a key factor to increase sandstorms or dust-storms, whereas, ＂artificial＂ factor may only be an accelerating one for desertification.

The use of the white poplar(Populus alba L.)biomass as fuel

We determined the calorific value of white poplar（Populus alba L.） woody biomass to use it as firewood. The value of 19.133 MJ kg-1obtained experimentally shows that the white poplar can be quite successfully used as firewood. Being of a lower quality in comparison with usual beech firewood, the white poplar has similar calorific value. The white poplar has a calorific density of 30.7 % lower than that of current firewood. That is why the price of this firewood from white poplar is lower accordingly. Also, the prognosis of calorific value on the basis of the main chemical elements, being very close to the experimental value（＋2.6 %）, indicates an appropriate value can be achieved to be used for investigation with the chemical element analysis.

The ecosystem of Lake Kenon:past and present(Transbaikal Territory,Russia)

Present-day conditions of the Lake Kenon ecosystem are determined by a combination of natural and anthropogenic factors. We have estimated the effects of a complex of factors on the condition of the abiotic environment and on specific biological components in the lake ecosystem. Change in biogenic load has caused an increase in the role of phytoplankton in the general balance of organic matter during the high-water period. Charophytes are the main dominants of bottom vegetation. Anthropogenic load has caused a decrease in both fish species and fish capacity. The lake application as a water reservoir-cooler has influenced the average annual water mineralization （from 420 mg/L to 530.0 mg/L with a maximum 654 mg/L in 1993） and fluctuations in its hydrochemical composition. The present composition of the lake is sulfate-hydrocarbonate-chloride calcium-sodic-magnesium in character. S（Y44 content is twice as much as the maximum permissible concentration in fishery waters. Water drainage from an ash disposal area to the lake has caused an increase in chemical-element concentrations including the heavy metals. Hg concentration in Perca fluviatilis muscles is 0.5 9g/g dry wt. Thus, understanding directions in the ecosystem of the water reservoir-cooler under changing hydrological conditions will let us forecast the consequences of new combined heat and power plant operation.

Levels of chemical element contents in thyroid as potential biomarkers for cancer diagnosis (a preliminary study)

Aim:Thyroid cancer is an internationally important health problem.The aim of this exploratory study was to evaluate whether significantchanges in the thyroid tissue levels of Al,B,Ba,Br,Ca,Cl,Cu,Fe,I,K,Li,Mg,Mn,Na,P,S,Si,Sr,V,and Zn exist in the malignantly transformed thyroid.Methods:Thyroid tissue levels of twenty chemical elements were prospectively evaluated in 41 patients with thyroid malignant tumors and 105 healthy inhabitants.Measurements were performed using a combination of non-destructive and destructive methods:instrumental neutron activation analysis and inductively coupled plasma atomic emission spectrometry,respectively.Tissue samples were divided into two portions.One was used for morphological study while the other was intended for trace element analysis.Results:It was found that contents of Al,B,Br,Ca,Cl,Cu,K,Mg,Mn,Na,P,S,and Si were significantly higher(approximately 3.2,4.6,9.3,1.8,2.3,3.6,1.6,1.6,1.6,1.2,2.5,1.1,and 2.8 times,respectively)while content of I lower(nearly 26 times)in cancerous tissues than in normal tissues.Conclusion:There are considerable changes in chemical element contents in the malignantly transformed tissue of thyroid.