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Wyświetlanie 1-15 z 47
Tytuł:
Transmission characteristics of the mobile inductively coupled power transfer system for dual transmitters and pickups based on PSpice
Autorzy:
Gao, Xin
Li, Xin
Powiązania:
https://bibliotekanauki.pl/articles/141475.pdf
Data publikacji:
2020
Wydawca:
Polska Akademia Nauk. Czytelnia Czasopism PAN
Tematy:
high power
ICPT
LCL compensation network
mobile
PSpice
Opis:
In order to meet the application requirements of high-power mobile inductivelycoupled power transfer (ICPT) equipment, the structure of the dual transmitter and pickup can be used to improve the transmission power of the ICPT system. However, this structure cannot easily describe the change of the mutual inductance parameter in the moving state, making the mathematical model difficult to establish. The change of load parameters during the movement will affect the current and voltage at the transmitter and pickup coils. Aiming at these problems, this paper proposes a dual transmitter and pickup ICPT system based on inductor-capacitor-inductor (LCL) compensation network, and analyzes its power transmission efficiency. By setting the shape and size of the coil, the influence of the change of the mutual inductance parameters on the system efficiency during the movement is reduced. The changes of the mutual inductance parameters of the ICPT system under the moving state are simulated by changing the coupling coefficient in the PSpice software. The results show that the structure of the ICPT system used in this paper can improve the output power and reduce the influence of the system when the load changes.
Źródło:
Archives of Electrical Engineering; 2020, 69, 1; 147-157
1427-4221
2300-2506
Pojawia się w:
Archives of Electrical Engineering
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Reliability study on non-contact traction power supplysystem based on fuzzy grey relational FTA
Autorzy:
Pei, Yanxia
Li, Xin
Powiązania:
https://bibliotekanauki.pl/articles/1841276.pdf
Data publikacji:
2021
Wydawca:
Polska Akademia Nauk. Czytelnia Czasopism PAN
Tematy:
FTA
grey relational degree
ICPT technology
reliability research
trapezoidal fuzzy number
triangular fuzzy number
szary stopień relacyjny
technologia ICPT
badania wiarygodności
trapezoidalna liczba rozmyta
trójkątna liczba rozmyta
Opis:
The traction power supply system based on Inductively Coupled Power Transfer (ICPT) technology is one of the new traction power supply technologies that will bedeveloped in the future. As the core part of rail transit energy transfer and conversion, thetraction power supply system is not only the critical system for the safe operation of railtransit, but also the main source of its failures, so it is of great significance to study itsreliability. In this paper, the reliability analysis of the non-contact traction power supplysystem based on mobile ICPT technology is carried out using the method of (Fault Tree Analysis) FTA combined with triangular fuzzy theory and grey relational theory. Firstly,the fault tree of the system is established, and the minimum cut sets and structure functionof the fault tree are obtained. Then the triangular fuzzy numbers are introduced to representthe probability of the bottom events, and the fuzzy probability of the top event and the fuzzyimportance of the bottom events are determined, after that, the maximum probability offailure of the top event is obtained. Finally, the grey relational degrees of each minimum cutset are obtained and ranked. Furthermore, in order to prove the correctness of this method,the trapezoidal fuzzy FTA is introduced and compared with it. Both research results showthat the loosely coupled transformer and Insulated Gate Bipolar Transistor (IGBT) moduleare the weak links of the system. The results obtained are consistent and realistic, whichproves the correctness of the method selected in this article.
Źródło:
Archives of Electrical Engineering; 2021, 70, 2; 253-270
1427-4221
2300-2506
Pojawia się w:
Archives of Electrical Engineering
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
A study on the influence of particle size on the identification accuracy of coal and gangue
Badanie wpływu wielkości cząstek na dokładność identyfikacji węgla i skały płonnej
Autorzy:
Li, Xin
Wang, Shuang
He, Lei
Luo, Qisheng
Powiązania:
https://bibliotekanauki.pl/articles/2203300.pdf
Data publikacji:
2023
Wydawca:
Polska Akademia Nauk. Instytut Gospodarki Surowcami Mineralnymi i Energią PAN
Tematy:
particle size
gray feature
texture feature
support vector machine
coal identification
gangue identification
wielkość cząstek
cecha szarości
cecha tekstury
maszyna wektorów pomocniczych
identyfikacja węgla
identyfikacja skały płonnej
Opis:
In order to explore the impact of coal and gangue particle size changes on recognition accuracy and to improve the single particle size of coal and gangue identification accuracy of sorting equipment, this study established a database of different particle sizes of coal and gangue through image gray and texture feature extraction, using a relief feature selection algorithm to compare different particle size of coal and gangue optimal features of the combination, and to identify the points and particle size of coal and gangue. The results show that the optimal features and number of coal and gangue are different with different particle sizes. Based on visible-light coal and gangue separation technology, the change of coal and gangue particle size cause fluctuations in the recognition accuracy, and the fluctuation of recognition accuracy will gradually decrease with increases in the number of features. In the process of particle size classification, if the training model has a single particle size range, the recognition accuracy of each particle size range is low, with the highest recognition accuracy being 98% and the average recognition rate being only 97.2%. The method proposed in this paper can effectively improve the recognition accuracy of each particle size range. The maximum recognition accuracy is 100%, the maximum increase is 4%, and the average recognition accuracy is 99.2%. Therefore, this method has a high practical application value for the separation of coal and gangue with single particle size.
W celu zbadania wpływu zmian wielkości cząstek węgla i skały płonnej na dokładność rozpoznawania oraz poprawienia dokładności identyfikacji pojedynczych cząstek węgla i skały płonnej przez urządzenia sortujące, w ramach tej pracy utworzono bazę danych różnych rozmiarów cząstek węgla i skały płonnej za pomocą obrazów szarych i ekstrakcję cech tekstury przy użyciu algorytmu wyboru cech reliefowych w celu porównania różnych rozmiarów cząstek węgla i skały płonnej przy optymalnych cechach kombinacji oraz identyfikacji punktów i wielkości cząstek węgla i skały płonnej. Wyniki pokazują, że optymalne liczby cech węgla i skały płonnej są różne dla różnych rozmiarów cząstek. W oparciu o technologię separacji węgla i skały płonnej w świetle widzialnym, zmiana wielkości cząstek węgla i skały płonnej powoduje fluktuacje dokładności rozpoznawania, a te z kolei będą stopniowo zmniejszać się wraz ze wzrostem liczby cech. W procesie klasyfikacji wielkości cząstek, jeśli model uczący ma jeden zakres wielkości cząstek, dokładność rozpoznawania każdego zakresu wielkości cząstek jest niska, przy czym najwyższa dokładność rozpoznawania wynosi 98%, a średni wskaźnik rozpoznawania wynosi tylko 97,2%. Metoda zaproponowana w tym artykule może skutecznie poprawić dokładność rozpoznawania każdego zakresu wielkości cząstek. Maksymalna dokładność rozpoznawania wynosi 100%, maksymalny wzrost to 4%, a średnia dokładność rozpoznawania to 99,2%. Dlatego ta metoda ma dużą praktyczną wartość użytkową do oddzielania węgla i skały płonnej według rozmiaru pojedynczej cząstki.
Źródło:
Gospodarka Surowcami Mineralnymi; 2023, 39, 1; 109--129
0860-0953
Pojawia się w:
Gospodarka Surowcami Mineralnymi
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Emission-intensity-enhanced GaN-based LED based on multilayer grating structures
Autorzy:
Li, Xin
Sun, Dejie
Han, Kun
Cao, Lijun
Guo, Shiliang
Li, Zhiquan
Powiązania:
https://bibliotekanauki.pl/articles/2033893.pdf
Data publikacji:
2021
Wydawca:
Politechnika Wrocławska. Oficyna Wydawnicza Politechniki Wrocławskiej
Tematy:
light-emitting diode
surface plasmon
grating
quantum well
Opis:
A novel surface-plasmon-enhanced GaN-LED is proposed to improve the emission efficiency of the traditional LED. The SiO2 film, Ag triangular structure and ITO film were coated on the rectangularly-patterned p-GaN layer sequentially, which can form the quasi-symmetrical waveguide structure to enhance the internal quantum efficiency and the light extraction efficiency. The COMSOL software is used to simulate the LED structure. The radiated powers, absorbed powers and distribution of electric field are obtained and analyzed. The results reveal that emission efficiency of the proposed GaN-LED can be greatly improved.
Źródło:
Optica Applicata; 2021, 51, 4; 529-540
0078-5466
1899-7015
Pojawia się w:
Optica Applicata
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Research on characteristics of embedded resonator sensor based on PtS2
Autorzy:
Li, Xin
Li, Xieyuan
Zhang, Haitao
Chen, Shuang
Liu, Shurong
Li, Yang
Powiązania:
https://bibliotekanauki.pl/articles/27310092.pdf
Data publikacji:
2023
Wydawca:
Politechnika Wrocławska. Oficyna Wydawnicza Politechniki Wrocławskiej
Tematy:
embedded
microring resonator
U-shaped feedback waveguide
PtS2 core layer
Opis:
An embedded microring resonator model using PtS2 as the core layer was designed and optimized for sensing. The inner layer is made of PtS2, and SiO2 and Si3N4 are used as cladding. The overall structure is Si3N4-SiO2-PtS2-SiO2-Si3N4. Field strength distribution of longitudinal section of single straight waveguide and the longitudinal section of coupling part of straight and annular waveguides are simulated according to the coupled-mode theory. The transfer matrix method is used to analyze characteristics between the length of the U-shaped feedback waveguide and the circumference of microring and the change of attenuation factor and coupling coefficient on the output spectrum. The simulation results showed that the embedded microring resonator with PtS2 as the core presents excellent optical properties. The resonance depth is more than –50 dB, and the sensitivity can reach 1806.61 dB/RIU. When the resonance wavelength is 1550.86 nm and the self-coupling coefficient is 0.9849. The corresponding detection limit is about 1.66056×10–7 dB/RIU, and the quality factor is 2.8848×10–5 under the measurement system with a signal-to-noise ratio of 30 dB. Compared with the traditional single microring structure, the proposed microring presents a higher free spectral range and more suitable for the fabrication of high-sensitivity, low-detection limit, and large-measurement range sensors.
Źródło:
Optica Applicata; 2023, 53, 2; 213--226
0078-5466
1899-7015
Pojawia się w:
Optica Applicata
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Molecular cloning and expression analysis of a new gene for short-chain dehydrogenase/reductase 9
Autorzy:
Liu, Shen
Huang, Chaoqun
Li, Dawei
Ren, Weihua
Zhang, Haoxing
Qi, Meiyan
Li, Xin
Yu, Long
Powiązania:
https://bibliotekanauki.pl/articles/1041143.pdf
Data publikacji:
2007
Wydawca:
Polskie Towarzystwo Biochemiczne
Tematy:
liver
clone
short-chain dehydrogenase/reductase
Opis:
We report here the cloning and characterization of a novel human short-chain dehydrogenases/reductase gene SCDR9, isolated from a human liver cDNA library, and mapped to 4q22.1 by browsing the UCSC genomic database. SCDR9 containing an ORF with a length of 900 bp, encoding a protein with a signal peptide sequence and an adh_short domain. GFP localization shows SCDR9 protein concentrated in some site of the cytoplasm, but not in the ER. Expression pattern in eighteen tissues revealed that SCDR9 is expressed highly in liver. Soluble recombinant protein was successfully purified from Escherichia coli using pET28A(+) expression vector. Our data provides important information for further study of the function of the SCDR9 gene and its products.
Źródło:
Acta Biochimica Polonica; 2007, 54, 1; 213-218
0001-527X
Pojawia się w:
Acta Biochimica Polonica
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Sensitivity enhancement of a wavelength interrogation-based optical fiber surface plasmon resonance sensor for hemoglobin concentration using barium titanate
Autorzy:
Shi, Zhen-Jiang
Guo, Shi-Liang
Li, Xin
Li, Zhi-Quan
Meng, Shu-Han
Li, Chong-Zhen
Powiązania:
https://bibliotekanauki.pl/articles/27310091.pdf
Data publikacji:
2023
Wydawca:
Politechnika Wrocławska. Oficyna Wydawnicza Politechniki Wrocławskiej
Tematy:
surface plasmon resonance
wavelength interrogation
barium titanate
sensitivity enhancement
hemoglobin concentration
Opis:
In this paper, the performances of a wavelength interrogation-based optical fiber surface plasmon resonance sensor for hemoglobin (Hb) concentration is investigated by theoretical simulation. The proposed configuration incorporates optical fiber, 70 nm silver, 18 nm barium titanate (BaTiO3), and 2 nm zinc oxide. Simulation results show the sensor exhibits refractive index sensitivity of 4023 nm/RIU and concentration sensitivity of 10.0873 nm/(g∙dL), along with Hb concentration varying from 0 to 14 g/dL. This paper especially focuses on the influence of BaTiO3 on the performances of the proposed sensor with light wavelength ranging from 350 to 1000 nm. Comparison analysis indicates sandwiching 18 nm BaTiO3 between sensing layers not only enhances the concentration sensitivity by 30.14% but also decreases the nonlinear error of the sensor from 0.68% to 0.63%. For a wavelength accuracy of 0.1 nm, the proposed sensor can provide a resolution of 0.0099 g/dL for Hb concentration detection.
Źródło:
Optica Applicata; 2023, 53, 2; 167--184
0078-5466
1899-7015
Pojawia się w:
Optica Applicata
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Isolation and expression pattern of RGS21 gene, a novel RGS member
Autorzy:
Li, Xin
Chen, Lei
Ji, Chaoneng
Liu, Bing
Gu, Jiefeng
Xu, Jian
Zou, Xianqiong
Gu, Shaohua
Mao, Yumin
Powiązania:
https://bibliotekanauki.pl/articles/1041351.pdf
Data publikacji:
2005
Wydawca:
Polskie Towarzystwo Biochemiczne
Tematy:
RGS21
G-protein signaling pathway
G-protein α subunit (Gα)
Opis:
Regulators of G-protein signaling (RGS) proteins are known for the RGS domain that is composed of a conserved stretch of 120 amino acids, which binds directly to activated G-protein α subunits and acts as a GTPase-activating protein (GAP), leading to their deactivation and termination of downstream signals. In this study, a novel human RGS cDNA (RGS21), 1795 bp long and encoding a 152-amino acid polypeptide, was isolated by large-scale sequencing analysis of a human fetal brain cDNA library. Unlike other RGS family members, RGS21 gene has no additional domain/motif and may represent the smallest known member of RGS family. It may belong to the B/R4 subfamily, which suggests that it may serve exclusively as a negative regulator of αi/o family members and/or αq/11. PCR analysis showed that RGS21 mRNA was expressed ubiquitously in the 16 tissues examined, implying general physiological roles.
Źródło:
Acta Biochimica Polonica; 2005, 52, 4; 943-946
0001-527X
Pojawia się w:
Acta Biochimica Polonica
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Green Fabrication of Nanoscale Energetic Molecular Perovskite (H2dabco)[Na(ClO4)3] with Reduced Mechanical Sensitivity
Autorzy:
Hu, Li-shuang
Du, Zelin
Liu, Yang
Gong, Shida
Guang, Chunyu
Li, Xin
Yang, Zhi
Jia, Qi
Liang, Kaili
Powiązania:
https://bibliotekanauki.pl/articles/27787996.pdf
Data publikacji:
2021
Wydawca:
Sieć Badawcza Łukasiewicz - Instytut Przemysłu Organicznego
Tematy:
molecular perovskite
(H2dabco)[Na(ClO4)3]
ball milling
thermal decomposition
mechanical sensitivity
Opis:
High-energy-density molecular perovskite energetic materials with high detonation performance have attracted much attention, but poor safety performance has limited their potential applications. In this paper, nano sodium perchlorate-based molecular perovskite (H2dabco)[Na(ClO4)3] (nano DAP-1) was fabricated by green ball-milling technology. The structure and morphology of the samples were characterized and the results showed that nano DAP-1 with nearly spherical morphology has a narrow particle size distribution, < 1 μm. The thermal decomposition properties were investigated by differential scanning calorimetry (DSC). The exothermic peak of nano DAP-1 thermal decomposition was 330.0 °C, a decrease of 51.7 °C compared with that of raw DAP (381.7 °C). The apparent activation energy (Ea) of nano DAP-1 was calculated to be 160.9 kJ·mol–1, which is lower than that of raw DAP-1 (168.6 kJ·mol–1). Mechanical sensitivity studies showed that nano DAP-1 (H50: 64 cm) exhibited a lower impact sensitivity than that of the raw DAP-1 (H50: 51 cm). This work provides a simple and effective way for improving the thermal decomposition properties and safety performance of molecular perovskite energetic materials.
Źródło:
Central European Journal of Energetic Materials; 2021, 18, 3; 369--384
1733-7178
Pojawia się w:
Central European Journal of Energetic Materials
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
The Least Eigenvalue of Graphs whose Complements Are Unicyclic
Autorzy:
Wang, Yi
Fan, Yi-Zheng
Li, Xiao-Xin
Zhang, Fei-Fei
Powiązania:
https://bibliotekanauki.pl/articles/31339491.pdf
Data publikacji:
2015-05-01
Wydawca:
Uniwersytet Zielonogórski. Wydział Matematyki, Informatyki i Ekonometrii
Tematy:
unicyclic graph
complement
adjacency matrix
least eigen- value
Opis:
A graph in a certain graph class is called minimizing if the least eigenvalue of its adjacency matrix attains the minimum among all graphs in that class. Bell et al. have identified a subclass within the connected graphs of order $n$ and size $m$ in which minimizing graphs belong (the complements of such graphs are either disconnected or contain a clique of size $ n/2 $). In this paper we discuss the minimizing graphs of a special class of graphs of order $n$ whose complements are connected and contains exactly one cycle (namely the class $ \mathcal{U}_n^c $ of graphs whose complements are unicyclic), and characterize the unique minimizing graph in $ \mathcal{U}_n^c $ when $ n \ge 20 $.
Źródło:
Discussiones Mathematicae Graph Theory; 2015, 35, 2; 249-260
2083-5892
Pojawia się w:
Discussiones Mathematicae Graph Theory
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
cDNA cloning, gene organization and expression analysis of human peptidylarginine deiminase type VI.
Autorzy:
Zhang, Jiayi
Dai, Jianliang
Zhao, Enpeng
Lin, Yun
Zeng, Li
Chen, Jinzhong
Zheng, Huari
Wang, Yu
Li, Xin
Ying, Kang
Xie, Yi
Mao, YuMin
Powiązania:
https://bibliotekanauki.pl/articles/1041522.pdf
Data publikacji:
2004
Wydawca:
Polskie Towarzystwo Biochemiczne
Tematy:
ovary
ePAD
peptidylarginine deiminase
hPADVI
Opis:
Peptidylarginine deiminase (PAD) catalyzes the post-translational modification of protein through the conversion of arginine to citrulline in the presence of calcium ions. Human, similar to rodents, has four isoforms of PAD (type I, II, III and IV/V), each of which is distinct in substrate specificity and tissue specific expression. In our large-scale sequencing project, we identified a new human PAD cDNA from a human fetal brain cDNA library. The putative protein encoded by this cDNA is designated hPADVI. Expression analysis of hPADVI showed that it is mainly expressed in adult human ovary and peripheral blood leukocytes. We conclude that hPADVI may be orthologous to mouse ePAD, basing on sequence comparison, chromosome localization and exon-intron structure analysis. PAD-mediated deimination of epithelial cell keratin resulting in cytoskeletal remodeling suggests a possible role for hPADVI in cytoskeletal reorganization in the egg and in early embryo development. This study describes a new important member of the human PAD family.
Źródło:
Acta Biochimica Polonica; 2004, 51, 4; 1051-1058
0001-527X
Pojawia się w:
Acta Biochimica Polonica
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
The analysis of surface deformation controlled by key strata groups and separation in strip mining
Autorzy:
Luan, Yuan-Zhong
Li, Zeng-Xin
Weng, Li-Yuan
Zhang, Ming-Xin
Powiązania:
https://bibliotekanauki.pl/articles/1402348.pdf
Data publikacji:
2020
Wydawca:
Politechnika Wrocławska. Wydział Geoinżynierii, Górnictwa i Geologii. Instytut Górnictwa
Tematy:
key strata groups
separation
breaking distance
surface deformation
probability integration
Opis:
In this paper, the key stratum theory is introduced in view of the small surface deformation value of the mining of thick coal mines in Gucheng Coal Mine. The analysis of geological drilling data in Gucheng Goal Mine determines three key strata groups and one main key stratum for controlling the surface deformation of the stratum above the No. 3 coal according to the stiffness and strength condition of the stratum. The breaking distance of the main key stratum in this Mine is determined to be 302–373.7 m in terms of the elastic foundation beam theory and the surface measured basin data. In addition, a large-scale separation model of the main key stratum of the five strip mining face of this Mine is established, and the quantitative calculation formula of the limit spanning of rock beam is proposed and applied to. Finally, the probability integral method is used to predict the surface deformation problem of multiple working faces, and the partition prediction is performed according to the key stratum breaking distance to obtain prediction values of surface deformation consistent with the fracture of key stratum in the study area.
Źródło:
Mining Science; 2020, 27; 303-322
2300-9586
2353-5423
Pojawia się w:
Mining Science
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
High-grade mutant OmpF induces decreased bacterial survival rate
Autorzy:
Zhao, Zhi-ping
Liu, Ting-ting
Zhang, Li
Luo, Min
Nie, Xin
Li, Zai-xin
Pan, Yu
Powiązania:
https://bibliotekanauki.pl/articles/1039304.pdf
Data publikacji:
2014
Wydawca:
Polskie Towarzystwo Biochemiczne
Tematy:
antibiotic resistance
mOmpF
OmpF
outer membrane protein
bacterial survival rate
Opis:
OmpF plays very important roles in the influx of antibiotics and bacterial survival in the presence of antibiotics. However, high-grade mutant OmpF and its function in decreasing bacterial survival rate have not been reported to date. In the present study, we cloned a high-grade mutant OmpF (mOmpF) and sequence analysis suggested that over 45 percent of the DNA sequence was significantly mutated, leading to dramatic changes in over 55 percent of the amino acid sequence. mOmpF protein was successfully expressed. When grown in the presence of antibiotic, the bacterial survival rate decreased and the antibiotic inhibition zone became larger with the increase of the mOmpF. It was concluded that concentration of high-grade mutant mOmpF dramatically influenced the bacterial survival rate. The study presented here may provide insights into better understanding of the relationships between structure and function of OmpF.
Źródło:
Acta Biochimica Polonica; 2014, 61, 2; 369-373
0001-527X
Pojawia się w:
Acta Biochimica Polonica
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Noether Theorems and Discrete Variational Integrators in Field Theory
Autorzy:
Xia, Li-Li
Chen, Li-Qun
Liu, Chang-Xin
Powiązania:
https://bibliotekanauki.pl/articles/1398640.pdf
Data publikacji:
2015-03
Wydawca:
Polska Akademia Nauk. Instytut Fizyki PAN
Tematy:
02.20.Sv
11.30.-j
Opis:
The discrete analogue of the Noether-type identities in field theory is investigated by means of the difference discrete variational principle in which the difference is regarded as an entire geometric object. The discrete counterparts of the Noether theorems are obtained. It is proved that there exists the discrete version of the Noether conservation law in field theory. The discretization for the nonlinear Schrödinger equation is presented to illustrate the results.
Źródło:
Acta Physica Polonica A; 2015, 127, 3; 669-673
0587-4246
1898-794X
Pojawia się w:
Acta Physica Polonica A
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Influence of Temperature on the Properties of Cellulose Iβ based on Molecular Dynamics Simulations
Autorzy:
Huang, Shuang
Wu, Xin
Li, Peixing
Powiązania:
https://bibliotekanauki.pl/articles/2056296.pdf
Data publikacji:
2021
Wydawca:
Sieć Badawcza Łukasiewicz - Instytut Biopolimerów i Włókien Chemicznych
Tematy:
cellulose Iβ
molecular dynamics simulation
Mulliken population
movement of chain
hydrogen bond
Opis:
Natural plants, such as cotton and linen, are rich in cellulose Iβ. The properties of cellulose Iβ under different temperatures was studied using molecular dynamics simulations. Firstly, the crystal of cellulose Iβ was built. To verify the model, the X-ray fibre diffraction and thermal expansion coefficients were calculated, which were found to agree with experimental results. Then the Mulliken population of the bonds were computed and the movement of the centre chain and hydrogen bonds studied over the range 300-550 K using a PCFF force field. The results of the Mulliken population reveal the three steps of pyrolysis. The higher the temperature is, the more intensely the movement of the centre chain is. However, the impact of temperature on the movement of the centre chain is not obvious. From 300 K to 550 K, the total number of hydrogen bonds decreased by only 20%. Moreocer, the rupture of intrachain hydrogen bonds and the formation of interchain hydrogen bonds at 400 K~450 K temperature occurred.
Źródło:
Fibres & Textiles in Eastern Europe; 2021, 6 (150); 32--36
1230-3666
2300-7354
Pojawia się w:
Fibres & Textiles in Eastern Europe
Dostawca treści:
Biblioteka Nauki
Artykuł
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