THE DIFFERENCE OF THE MOLECULAR STRUCTURES BETWEEN DEFORMED SOFT AND HARD COAL AND THEIR INFLUENCES ON THE CHARACTERISTICS OF ADSORPTION METHANE

2019 ◽  
Vol 27 (06) ◽  
pp. 1950159
Author(s):  
YANWEI LIU ◽  
PEIBO LI ◽  
ZHIMING LU ◽  
WEIQIN ZUO ◽  
HANI MITRI
Keyword(s):  
Molecular Structure ◽  
Coalbed Methane ◽  
Structural Parameters ◽  
Structural Difference ◽  
Interlayer Spacing ◽  
Molecular Structures ◽  
Physical Models ◽  
Hard Coal ◽  
Isothermal Adsorption ◽  
Soft Coal

This paper aims to study the influence of molecular structural difference between deformed soft and hard coal on methane adsorption and obtains the quantitative indexes that reflect the above influence degree. In this paper, XRD and FTIR experiments were adopted to determine the molecular structure of typical deformed soft and hard coals with different ranks. The molecules structural parameters of deformed soft and hard coal were compared and analyzed. Based on the above structural difference characteristic, four corresponding physical models of macromolecular structure are established. A simulation for deformed soft and hard coals was established to test out the behavior difference of adsorption and its mechanism; by using Materials Studio (MS) software, same scenario is also applied on the other four physical models listed above. Then, the isothermal adsorption methane experiments of four kinds coal samples were carried out to verify the above simulation results. The results show that the molecular structure of deformed soft and hard coals has significant differences, i.e. comparing with hard coal, deformed soft coal has smaller interlayer spacing [Formula: see text]; greater lateral sizes [Formula: see text]a, stacking heights [Formula: see text]c and the crystal nuclei sizes [Formula: see text]a/[Formula: see text]c. Deformed soft coal had a more orderly structure crystal nuclei, bigger crystal volume, the larger basic structure unit (BSU) and more flattened. Deformed soft coal has less oxygen-containing functional groups, lower fatty hydrocarbon content and more [Formula: see text]. These findings verified that dynamic metamorphism promotes aromatization and large molecular polycondensation of the coal, thus improving the aromatic degrees of the crystal nucleus. Due to the increasing of the lateral sizes being beneficial and the stacking heights being not conducive to the adsorption of the coal, the [Formula: see text]a/[Formula: see text]c was proposed as an indicator of the coal adsorption methane ability. The isothermal adsorption experiments show that the adsorption capacity of deformed soft coal with the same rank is greater than that of hard coal, which is in good consistency with the above research results. Also, the above experimental results provide a theoretical basis for the determination of coalbed methane content and the estimation of CBM.

scholarly journals Study on the Effect of Soft and Hard Coal Pore Structure on Gas Adsorption Characteristics

2021 ◽  
Vol 2021 ◽  
pp. 1-10
Author(s):  
Xun Zhao ◽  
Tao Feng ◽  
Ping Wang ◽  
Ze Liao
Keyword(s):  
Pore Structure ◽  
Adsorption Capacity ◽  
Residence Time ◽  
Coalbed Methane ◽  
Gas Adsorption ◽  
Nitrogen Adsorption ◽  
Hard Coal ◽  
Research Results ◽  
Adsorption Characteristics ◽  
Soft Coal

In order to grasp the effect of soft and hard coal pore structure on gas adsorption characteristics, based on fractal geometry theory, low-temperature nitrogen adsorption and constant temperature adsorption test methods are used to test the pore structure characteristics of soft coal and its influence on gas adsorption characteristics. We used box dimension algorithm to measure the fractal dimension and distribution of coal sample microstructure. The research results show that the initial nitrogen adsorption capacity of soft coal is greater than that of hard coal, and the adsorption hysteresis loop of soft coal is more obvious than that of hard coal. And the adsorption curve rises faster in the high relative pressure section. The specific surface area and pore volume of soft coal are larger than those of hard coal. The number of pores is much larger than that of hard coal. In particular, the superposition of the adsorption force field in the micropores and the diffusion in the mesopores enhance the adsorption potential of soft coal. Introducing the concept of adsorption residence time, it is concluded that more adsorption sites on the surface of soft coal make the adsorption and residence time of gas on the surface of soft coal longer. Fractal characteristics of the soft coal surface are more obvious. The saturated adsorption capacity of soft coal and the rate of reaching saturation adsorption are both greater than those of hard coal. The research results of this manuscript will provide a theoretical basis for in-depth analysis of the adsorption/desorption mechanism of coalbed methane in soft coal seams and the formulation of practical coalbed methane control measures.

The Influences of the Rank of Coal on Methane Sorption Capacity in Coals/Wpływ Rzędu Węgla Na Pojemność Sorpcyjną Metanu W Węglach

2014 ◽  
Vol 59 (2) ◽  
pp. 509-516
Author(s):  
Andrzej Olajossy
Keyword(s):  
Sorption Capacity ◽  
Coalbed Methane ◽  
Vitrinite Reflectance ◽  
Sorption Isotherms ◽  
Volatile Matter ◽  
Low Rank ◽  
Hard Coal ◽  
Petrographic Composition ◽  
Methane Sorption ◽  
Indian Coals

Abstract Methane sorption capacity is of significance in the issues of coalbed methane (CBM) and depends on various parameters, including mainly, on rank of coal and the maceral content in coals. However, in some of the World coals basins the influences of those parameters on methane sorption capacity is various and sometimes complicated. Usually the rank of coal is expressed by its vitrinite reflectance Ro. Moreover, in coals for which there is a high correlation between vitrinite reflectance and volatile matter Vdaf the rank of coal may also be represented by Vdaf. The influence of the rank of coal on methane sorption capacity for Polish coals is not well understood, hence the examination in the presented paper was undertaken. For the purpose of analysis there were chosen fourteen samples of hard coal originating from the Upper Silesian Basin and Lower Silesian Basin. The scope of the sorption capacity is: 15-42 cm3/g and the scope of vitrinite reflectance: 0,6-2,2%. Majority of those coals were of low rank, high volatile matter (HV), some were of middle rank, middle volatile matter (MV) and among them there was a small number of high rank, low volatile matter (LV) coals. The analysis was conducted on the basis of available from the literature results of research of petrographic composition and methane sorption isotherms. Some of those samples were in the form (shape) of grains and others - as cut out plates of coal. The high pressure isotherms previously obtained in the cited studies were analyzed here for the purpose of establishing their sorption capacity on the basis of Langmuire equation. As a result of this paper, it turned out that for low rank, HV coals the Langmuire volume VL slightly decreases with the increase of rank, reaching its minimum for the middle rank (MV) coal and then increases with the rise of the rank (LV). From the graphic illustrations presented with respect to this relation follows the similarity to the Indian coals and partially to the Australian coals.

Metaphoric chains

2021 ◽  
Vol 19 (2) ◽  
pp. 273-298
Author(s):  
Sakineh Navidi-Baghi ◽  
Ali Izanloo ◽  
Alireza Qaeminia ◽  
Alireza Azad
Keyword(s):  
Molecular Structure ◽  
Conceptual Metaphor ◽  
Previous Literature ◽  
Molecular Structures ◽  
Conceptual Metaphor Theory ◽  
Metaphor Theory ◽  
Different Types ◽  
New Form

Abstract The molecular structure of a complex metaphor comprises two or more atomic metaphorical parts, known as primary metaphors. In the same way, several molecular structures of metaphors may combine and form a mixture, known as mixed metaphors. In this study, different types of metaphoric integrations are reviewed and illustrated in figures to facilitate understanding the phenomena. Above all, we introduce double-ground metaphoric chain, a new form of metaphoric integration that has not been identified in the previous literature. Also, a distinction is made between single-ground and double-ground metaphoric chains. In the former, which has already been introduced, two basic metaphors are chained with the same form and have the same ground, while the latter includes two chained metaphors, one main metaphor plus a supportive one, with different grounds. In this analysis, we benefited from Conceptual Metaphor Theory (CMT) to analyse double-ground metaphoric chains. This study suggests that each metaphoric integration leads to a multifaceted conceptualization, in which each facet is related to one of the constituent micro-metaphors.

scholarly journals Insights into the Intrinsic Factors Affecting the NIR Reflectance Based on Rylene Diimide Molecules

Materials ◽  
2021 ◽  
Vol 14 (18) ◽  
pp. 5269
Author(s):  
Weili Zeng ◽  
Yujie Song ◽  
Jianning Zhang ◽  
Hong Chen ◽  
Ming Liu ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Molecular Structures ◽  
Heat Radiation ◽  
Clear Understanding ◽  
Factors Affecting ◽  
Intrinsic Factors ◽  
Alkyl Groups ◽  
Amine Groups

A clear understanding of the relationships between molecular structure and NIR reflectance (700–2500 nm) behavior is important and highly desirable for developing appropriate NIR-reflective materials to combat NIR heat radiation from sunlight. In this research, three groups of imide-based compounds have been adopted to investigate the influence of the intrinsic molecular structures on the NIR-reflective properties. It is found out that for the compounds with alkyl groups, the NIR reflectance will increase as the degree of the conjugated backbone increases, especially for the reflectance from 1750 nm to 2500 nm. In addition, despite that the alkyl or amine groups deteriorate the NIR reflectance, the NIR reflectance varies within a certain interval and the isomers with branched alkyl groups show identical or smaller NIR reflectance than those of isomers with linear alkyl groups. For different compounds, crystallinity seems to almost have no relationship with their NIR reflectance.

scholarly journals Zagreb Connection Index of Drugs Related Chemical Structures

2020 ◽  
Vol 11 (4) ◽  
pp. 11920-11930
Keyword(s):  
Molecular Structure ◽  
Structure Analysis ◽  
Topological Indices ◽  
Molecular Structures ◽  
Connection Number ◽  
Chemical Structures ◽  
Molecular Structure Analysis

Topological indices are used to test the medicine and pharmacology characteristics of drugs and their molecular structures. The modified first Zagreb connection number index is defined to be used in the analysis of drug structures. In this paper, by means of drug molecular structure analysis and vertex partitioning method, we compute the modified first Zagreb connection number index of graphene, polyomino chains, and Benzenoid systems, etc. These structures are used widely in molecular drug graphs.

scholarly journals GENERAL CHARACTERISTICS OF INFLUENZA VIRUS A MOLECULAR STRUCTURE

2018 ◽  
pp. 13-19
Author(s):  
Deryabina Nina ◽  
Gritsenko Dilyara ◽  
Galiakparov Nurbol
Keyword(s):  
Molecular Structure ◽  
Influenza Virus ◽  
Binding Sites ◽  
Molecular Structures ◽  
Effective Vaccine ◽  
Clear Understanding ◽  
Human Species ◽  
The World ◽  
Critical Regions ◽  
Effective Drugs

The influenza virus is one of the most abundant viruses in the world. It causes both mild seasonal infections and severe pandemics killing thousands of people and mammals. Two main extracellular receptors – neuraminidase (NA) and hemagglutinin (HA) are responsible for infection symptoms development and spread. Error-prone RNA-polymerase incorporates mutations into both neuraminidase and hemagglutinin per replication cycle, which complicates the development of highly effective drugs against animal influenza. Incorporated mutations are also involved in the transition of influenza from animal to human species and vice versa. Transited influenza subtypes are the most dangerous, because it is unpredictable now, where the mutation might arise. However, it starts to become clear, which molecular regions are the most common for the mutation to occur. This article revises the molecular structure of influenza extracellular receptors, including critical regions of receptors binding sites and susceptible mutation sites. The clear understanding of molecular structures and critical regions of HA and NA might facilitate the development of an effective vaccine and/or drug development.

scholarly journals Experimental Analysis of Pore Structure and Fractal Characteristics of Soft and Hard Coals With Same Coalification

2021 ◽  
Author(s):  
Barkat Ullah ◽  
Yuanping Cheng ◽  
Liang Wang ◽  
Weihua Yang ◽  
Izhar Mithal Jiskani ◽  
...  
Keyword(s):  
Pore Structure ◽  
Adsorption Capacity ◽  
Gas Adsorption ◽  
Hysteresis Loops ◽  
Control Measures ◽  
Practical Significance ◽  
Coal Bed ◽  
Hard Coal ◽  
Pore Surface ◽  
Soft Coal

Abstract Accurate and quantitative investigation of the physical structure and fractal geometry of coal has important theoretical and practical significance for coal bed methane and the prevention of dynamic disasters such as coal and gas outbursts. This study investigates the pore structure and fractural characteristics of soft and hard coals using nitrogen and carbon dioxide (N2/CO2) adsorption. Coal samples from Pingdingshan Mine in Henan province of China were collected and pulverized to the required size (0.2-0.25mm). N2/CO2 adsorption tests were performed to evaluate the pore size distribution (PSD), specific surface area (SSA), and pore volume (PV). The pore structure was characterized based on fractural theory. The results unveiled that the strength of coal has a significant influence on pore structure and fracture dimensions. The obvious N2-adsorption isotherms of the coals were verified as Type IV (A) and Type II. The shape of the hysteresis loops indicates the presence of slit-shaped pores. There are significant differences in SSA and PV between both coals. The soft coal showed larger SSA and PV than hard coal that shows consistency with adsorption capacity. The fractal dimensions of soft coal are respectively larger than that of hard coal. The greater the value of D1 (complexity of pore surface) of soft coal is, the larger the pore surface roughness and gas adsorption capacity is. The results enable us to conclude that the characterization of pores and fractures of soft and hard coals is different, tending to different adsorption/desorption characteristics and outburst sensitivity. In this regard, results provide a reference for formulating corresponding coal and gas outburst prevention and control measures.

scholarly journals Integrating Chemical Crystallography into Advanced Undergraduate Laboratories

2014 ◽  
Vol 70 (a1) ◽  
pp. C1382-C1382
Author(s):  
Joseph Tanski
Keyword(s):  
Molecular Structure ◽  
Undergraduate Students ◽  
Scientific Journal ◽  
Molecular Structures ◽  
Module Structure ◽  
Spectroscopic Techniques ◽  
X Ray Crystallography ◽  
Chemical Crystallography ◽  
Structure Of Molecules ◽  
Student Projects

As scientific educators, it is important to mentor students in using state-of-the-art instrumentation and in the communication of new knowledge. Just as chemical crystallography and complimentary spectroscopic techniques such as NMR can be fast, effective tools to experimentally determine the structure of molecules and enhance students learning of molecular structure, they can also provide an inspiring opportunity for students to write short, scientific journal style reports that can be edited and published in collaboration with a mentor. This contribution will focus on incorporating X-ray crystallography into an advanced undergraduate integrated laboratory class as part of a discovery based exercise where the students do not know the identity of their small molecule organic compound, and the publication of the resulting crystal structures. The structures of some recently published examples are shown below. With examples of past student projects and published structures, topics will include: sample choice, the discovery based molecular structure determination lab module, structure validation, analysis and discussion of intermolecular interactions such as hydrogen bonding, π-stacking, halogen-halogen interactions, and C-H···X (X = O, N, halogen) interactions, and the writing of descriptions of crystal and molecular structures for publication in collaboration with undergraduate students. This work was supported by grants from the U.S. National Science Foundation, No. 0521237 & 0911324.

scholarly journals Detection and Investigation of Some Properties of the Regulators of Antibiotic Biosynthesis Produced by Streptomyces Strains S. sp. AN26 and S. sp. B35

2021 ◽  
Vol 83 (6) ◽  
pp. 49-54
Author(s):  
B.P. Matselyukh ◽  
Keyword(s):  
Molecular Structure ◽  
Nmr Spectroscopy ◽  
Thin Layer ◽  
Thin Layer Chromatography ◽  
Transcriptional Regulators ◽  
Signaling Molecules ◽  
Molecular Structures ◽  
Antibiotic Biosynthesis ◽  
Future Studies ◽  
Layer Chromatography

The aim of this work was the isolation, purification and some properties investigation of two regulators of antibiotic biosynthesis of streptomycetes. Methods includes extraction of regulators from agar cultures and their concentration by vacuum rotary evaporator, thin layer chromatography and spectrophotometry. Results. Two strains of streptomycetes AN26 and B35 isolated from soils of different regions of Ukraine produce the regulators restoring the landomycin E biosynthesis and sporulation in mutant strain Streptomyces globispoprus 1912-B2. Both regulators were purified by thin layer chromatography and have the same Rf 0.69. Absorption curves of regulators were established by means of spectrophotometry. Maxima of absorption of regulators were 232.5 nm. The next study of the isolated regulators by means of NMR will give the possibility to elucidate their molecular structures. Conclusions. It is shown that two strains of streptomycetes isolated from the soils of Askania Nova and Brovary produce transcriptional regulators such as signaling molecules, which, like A-factor, restore the biosynthesis of antibiotics landomycin E and streptomycin in test strains S. globisporus 1912-B2 and S. griseis 1439, respectively. In terms of absorption maxima, they are similar and differ from similar indicators of known regulators of streptomycetes. It is possible that these compounds belong to new, not yet described signaling molecules, and the answer to this question will give future studies of their molecular structure by NMR spectroscopy.

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