{"title":"The Quantum Chemical Investigation on the Structure-Activity Relationship of a Schiff Base Corrosion Inhibitor","authors":"Hong Ju, Di Zhu, Shu-Fa Liu, Hanzhi Li","doi":"10.5755/j02.ms.33818","DOIUrl":"https://doi.org/10.5755/j02.ms.33818","url":null,"abstract":"This study investigated the relationship between the molecular structure and the corrosion inhibition efficiency of three corrosion inhibitors for steel in acidic media using the DFT method. First, the molecular conformations of the three compounds were optimized and the populations of charges and frontier orbitals were obtained at the B3LYP/6-311G level. Quantum chemical parameters were also obtained by calculations, including the highest occupied molecular orbital energy (EHOMO), the energy gap (ELUMO−EHOMO), the total energy of the molecule, the dipole moment and the number of electrons transferred (ΔN). The results of the correlation between quantum chemical parameters and inhibition efficiencies demonstrated that the inhibition efficiency of the inhibitors increased with the decrease of ELUMO-EHOMO and the increase of ΔN. The regions with nitrogen and oxygen atoms are the sites most likely to bond with iron atoms by donating electrons.","PeriodicalId":18298,"journal":{"name":"Materials Science-medziagotyra","volume":null,"pages":null},"PeriodicalIF":1.1,"publicationDate":"2023-08-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"45863514","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Effect of Bentonite Admixture Content on Effective Porosity and Hydraulic Conductivity of Clay-based Barrier Backfill Materials","authors":"Yiyang Lv, Haoqing Xu, P. Jiang, Tao Wu","doi":"10.5755/j02.ms.32075","DOIUrl":"https://doi.org/10.5755/j02.ms.32075","url":null,"abstract":"Clay-based barrier wall has been diffusely employed as vertical barriers. Nevertheless, there were few project practices of these walls in China. And few research have been performed to study the impact on the permeability of the addition of domestic bentonites. To solve this problem, the influences of bentonite level on hydraulic conductivity, porosity and clay-bound water of soil-bentonite admixtures have been assessed employing a flexible-wall test and water centrifugal dewatering experiment with various bentonites. The outcomes revealed that as barrier walls are constructed by blending bentonite and Fujian standard sandy soil, there is a critical bentonite level of the smallest porosity. If the bentonite level is less than the critical bentonite content, hydraulic conductivity is reduced quickly, while if the bentonite level is greater than the critical bentonite content, hydraulic conductivity is reduced gently. Additionally, as the bentonite level grew, the clay-bound water centage of the admixtures continually improved. Supposing that the clay-bound water enclosed the clay grains, a near computation approach of the effective porosity is put forward and showed that the effective porosity decreased with bentonite content. Additionally, an exponential relationship was found between the effective porosity and the permeability.","PeriodicalId":18298,"journal":{"name":"Materials Science-medziagotyra","volume":null,"pages":null},"PeriodicalIF":1.1,"publicationDate":"2023-08-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"43398497","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Synthesis and Determination of Al3+ in Chinese Herbs from Heilongjiang Province by Fluorescent Probe of Naphthalimide","authors":"Guang Yang, Yan Lang","doi":"10.5755/j02.ms.33594","DOIUrl":"https://doi.org/10.5755/j02.ms.33594","url":null,"abstract":"We reported a new naphthalimide fluorescence probe M1[dimethyl 3, 3'-((2-((2-butyl-1, 3-dioxo-2, 3-dihydro-1H-benzo[de] isoquinolin-6-yl) amino) ethyl) azanediyl) dipropionate] with Al3+ fluorescence system. Its UV-visible absorption spectrum and fluorescence spectrum showed remarkable optical characteristics. The optimal experimental conditions, including reaction temperature, pH, and reaction time were investigated. This system possessed a good anti-interference ability toward the other 16 metal ions. The M1 shows good linearity with Al3+ concentration (1 × 10-6 ~ 15 × 10-6 mol/L). The LOD (Limit of Detection) was 7.55 × 10-8 mol/L. It has good resistance to interference. It was excellently resistant to interferences. The complexation ratio between the M1 probe and Al3+ is 1:1. Furthermore, the binding mechanism was conjectured. We applied the constructed fluorescence system for the first time to the determination of Al3+ in Chinese herbal medicines, and fluorescence imaging in living cells.","PeriodicalId":18298,"journal":{"name":"Materials Science-medziagotyra","volume":null,"pages":null},"PeriodicalIF":1.1,"publicationDate":"2023-08-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"45308854","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Effect of MgO and Al2O3 on High-temperature Stability Performance of High-alumina Cement","authors":"Yibo Wang, Jinbo Gao","doi":"10.5755/j02.ms.33912","DOIUrl":"https://doi.org/10.5755/j02.ms.33912","url":null,"abstract":"High-alumina cement has an important position in refractory materials with its good performance at high temperatures, but its disadvantages such as strength inversion and unstable transformation of hydration products have always limited its development. To clarify the working mechanism of high-alumina cement and improve its high temperature resistance, MgO and Al2O3 were added to the high-alumina cement paste. The optimal design method was used to determine the influence of each factor on the high temperature stability of the cement paste. The mix ratio of raw materials was optimized and the strength change patterns of the specimens under the optimal ratio were verified. From a microstructure perspective, the high temperature evolution of the hardened paste of high-alumina cement was explored using X-ray diffraction, scanning electron microscopy, thermogravimetry, and differential scanning calorimetry. The results show that the introduction of refractory powders, especially Al2O3, can significantly improve the volumetric stability of the cement paste at high temperatures. When the water-cement ratio is 0.20, the admixture of MgO is 5 % or 10 %, and Al2O3 is 20 %, the high temperature volume stability of the cement paste is the best. However, its corresponding mechanical strength is weakened to some extent with an increase in calcinating temperature. Moreover, the structure-property evolution process of cementite under high temperature calcinating conditions was verified by microstructural characterization, especially the influence of the powder on the volume and strength of the cement block at high temperatures. The results of this study can serve as a guide for the development of high-alumina cement and its cementing materials, as well as for the improvement of their properties.","PeriodicalId":18298,"journal":{"name":"Materials Science-medziagotyra","volume":null,"pages":null},"PeriodicalIF":1.1,"publicationDate":"2023-08-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"49410256","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
C. Dong, Jiangbo Luo, Gang Chen, Wei Chen, Xinghua Xiao
{"title":"Green Synthesis and Characterization of Silver Nanoparticles Using Ginkgo Biloba Laf Extract","authors":"C. Dong, Jiangbo Luo, Gang Chen, Wei Chen, Xinghua Xiao","doi":"10.5755/j02.ms.32876","DOIUrl":"https://doi.org/10.5755/j02.ms.32876","url":null,"abstract":"A facile, effective and green method using Ginkgo Biloba leaf extract was applied and optimized for the preparation of well dispersed silver nanoparticles. In the method, Ginkgo Biloba leaf extract was employed as both stabilizing and reducing agent without the addition of a toxic agent. 0.1 % silver nitrate solution (w/v) was used silver source. The synthesized silver nanoparticles were investigated and examined by UV-vis absorption spectroscopy (UV-vis), Scanning electron microscope (SEM), Transmission electron microscopy (TEM), powder X-ray diffraction (XRD) and Dynamic light scattering (DLS). The formation of silver nanoparticles was found by a change of color from light yellow to red, which was further proved by absorbance peak at 456 nm in UV-vis spectroscopy. The prepared nanoparticles are global in shape, highly crystalline in nature with a narrow distribution from 10 nm to 40 nm. The silver nanoparticles were capped with extracts, which prevented them from agglomeration and oxidation. Different parameters affecting the generation performance of silver nanoparticles, such as time, amount of silver nitrate and extract were investigated. The results demonstrate that these reaction parameters play important roles in the synthesis of silver nanoparticles.","PeriodicalId":18298,"journal":{"name":"Materials Science-medziagotyra","volume":null,"pages":null},"PeriodicalIF":1.1,"publicationDate":"2023-07-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"47569394","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Guru Sampath Kumar Ankisetty, Vijay Kumar Jinde, M. Ungarala, S. Pendyala, Obulapathi Lavuluri, Sharon Samyuktha Vadde
{"title":"Microwave Assisted Sintering of Sr-doped Zinc Titanate (Sr0.2Zn0.8TiO3) Nano-ceramics","authors":"Guru Sampath Kumar Ankisetty, Vijay Kumar Jinde, M. Ungarala, S. Pendyala, Obulapathi Lavuluri, Sharon Samyuktha Vadde","doi":"10.5755/j02.ms.33625","DOIUrl":"https://doi.org/10.5755/j02.ms.33625","url":null,"abstract":"Sr0.2Zn0.8TiO3 (SZT) ternary nanopowders of perovskite structure samples were prepared by conventional solid state reaction technique using ultra-pure metal oxide powders. SrCO3, ZnO and TiO2 powders were used as a source of Strontium, Zinc, and Titanium. The calcination temperature of the samples is 820 °C and sintered at different temperatures ranging from 850 °C to 1000 °C in conventional and microwave furnaces for 2 hours and 30 min., respectively. The synthesized nano-powders were characterized using XRD, SEM, XPS and their dielectric properties were studied by temperature dependent LCR meter. The dielectric constant increases with an increase in sintering temperature until 950 °C and it decreases with a further increase of frequency.","PeriodicalId":18298,"journal":{"name":"Materials Science-medziagotyra","volume":null,"pages":null},"PeriodicalIF":1.1,"publicationDate":"2023-07-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"41679829","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Seismic Performance of Cementitious Grout Filled Coupler and Sleeve Connections in Precast Wall Panels under Cyclic Lateral Loading","authors":"Joyson Silva Parisutham, Jaya KRISHNAN PRABHAKARAN, Binu Sukumar","doi":"10.5755/j02.ms.33883","DOIUrl":"https://doi.org/10.5755/j02.ms.33883","url":null,"abstract":"This study investigated the seismic performance of cementitious grout filled coupler and sleeve connections in precast wall panels under cyclic lateral loading. The effectiveness of these connections in enhancing the seismic performance of precast concrete walls was evaluated. In many countries, grouted coupler connections are the preferred option, whereas sleeve connections were more commonly utilized in India due to the belief that a greater portion of the dowel being grouted enhances structural stability. Tests were conducted on full scale precast wall panels to study the behaviour of connections by applying a displacement-controlled cyclic lateral loading and the results were discussed. The experimental study revealed that the cementitious grout filled coupler connection exhibited better seismic performance and was recommended for precast wall panel connections over the grouted sleeve connection. Compared to the grout filled sleeve connection, the specimen with an unbonded segment demonstrated an 8% rise in energy dissipation, while the specimen with a grouted coupler connection displayed a 55 % increase.","PeriodicalId":18298,"journal":{"name":"Materials Science-medziagotyra","volume":null,"pages":null},"PeriodicalIF":1.1,"publicationDate":"2023-07-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"45387042","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Martin Charles Mark, Satish Kumar Shanmugam, Ramadoss Rajendran
{"title":"Mechanical and Microstructural Characteristics of Rotary Friction Welded SS316L and Pure Copper with Added MWCNT Nano Additives","authors":"Martin Charles Mark, Satish Kumar Shanmugam, Ramadoss Rajendran","doi":"10.5755/j02.ms.33038","DOIUrl":"https://doi.org/10.5755/j02.ms.33038","url":null,"abstract":"This study explores the novel design of geometric rubbing profiles on rotary friction welding for enhanced mechanical clamping in joining dissimilar alloys such as copper and stainless steel 316L. The clamping behavior of rubbing profiles could hold the yielding of the weld joint to a maximum level. An innovative approach to effective mixing of the weldment zone could be achieved through the definition of rubbing profiles. The effective dispersion of dissimilar metallic phases could be governed by the geometrical profile in achieving the intermetallic SS-Cu phase. Variations were made in welding parameters like tool rotational speed, upset pressure, upset time, friction pressure, and friction time to find the appropriate process for the four different rubbing profiles, namely helical fluke, plus, cylindrical, and flat to achieve a reduction in micro and macro-structural defects with strong weld nugget. Results show that helical fluke rubbing profiles were seen to have explicit values like ultimate tensile strength of 217 MPa (upset pressure), elongation of 9.8 % (upset pressure), and average hardness of 125 HV (friction pressure) at the weld nugget. Microstructural characteristics prove that the formation of IMCs through grain size reduction such as cementite increases the Vickers hardness of the weldment.","PeriodicalId":18298,"journal":{"name":"Materials Science-medziagotyra","volume":null,"pages":null},"PeriodicalIF":1.1,"publicationDate":"2023-07-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"42866272","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Electrical Characteristics of Single Layer Graphene Ribbons in a Wide Temperature Range","authors":"Rachid Fates, R. Remmouche, T. Benkedidah","doi":"10.5755/j02.ms.33700","DOIUrl":"https://doi.org/10.5755/j02.ms.33700","url":null,"abstract":"This paper provides electrical characterization of single layer graphene ribbon devices defined as back-gated graphene transistors. The two-terminal back-gated graphene ribbon devices were fabricated on a conventional Si substrate covered by a 90 nm-thick thermal SiO2. The chemical vapor deposition process was used for the graphene layer deposition and its quality was checked with optical microscopy, scanning electron microscopy and Raman spectroscopy. For the device fabrication, optical lithography was used for electrode patterns through a mask, and Ti/Au (10 nm/100 nm) metallic contacts were deposited by thermal evaporation. We report low and high field electrical measurements of several devices, under a controlled environment over a wide temperature range, from 77 to 300 K. At 77 K, the drain current decreases, i.e. the resistance of the graphene increases, and the nonlinearity is still present. The maximum influence of the temperature is reached at the charges neutrality point, and we observe that the temperature could influence the position of the charge neutrality point. This indicates that the carriers are thermally activated, which yields a least pronounced current with the increase of the back gate voltage.","PeriodicalId":18298,"journal":{"name":"Materials Science-medziagotyra","volume":null,"pages":null},"PeriodicalIF":1.1,"publicationDate":"2023-07-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"46009484","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
P. Onishchenko, T. Glushkova, A. Kostyunin, M. Rezvova, T. Akentyeva, L. Barbarash
{"title":"Computer models of biomaterials used for manufacture of flap apparatus of prosthetic heart valves","authors":"P. Onishchenko, T. Glushkova, A. Kostyunin, M. Rezvova, T. Akentyeva, L. Barbarash","doi":"10.31044/1684-579x-2023-0-7-30-39","DOIUrl":"https://doi.org/10.31044/1684-579x-2023-0-7-30-39","url":null,"abstract":"The physical-mechanical characteristics of materials-components of bioprostheses of heart valves presented in clinical practice in Russia, with subsequent adaptation of properties for numerical modeling tasks, have been obtained and generalized. It is shown that all the studied materials have a pronounced nonlinearity and can be represented only in the form of polynomial models. Comparison of the results of computer modeling based on the obtained coefficients of materials showed no differences with the data of full-scale bench tests, which made possible to verify computer models.","PeriodicalId":18298,"journal":{"name":"Materials Science-medziagotyra","volume":null,"pages":null},"PeriodicalIF":1.1,"publicationDate":"2023-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"41451374","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}