Journal of Molecular and Engineering Materials最新文献_第5页

Elastodynamic Response of a Three-Phase-Lag Model of Orthorhombic Thermoviscoelastic Material with Reference Temperature Dependent Properties 具有参考温度相关特性的正交热粘弹性材料三相滞后模型的弹动力响应

IF 1.5

Journal of Molecular and Engineering Materials Pub Date : 2020-03-01 DOI: 10.1142/s2251237320500021

L. Rani

引用次数: 1

Molecular Dynamic Simulations of Diethyl Ether and its Mixture with Cellulose Dinitrate Tripolymer Molecules for their Thermal Diffusion Behaviors 二乙醚及其与纤维素二硝酸酯混合物热扩散行为的分子动力学模拟

IF 1.5

Journal of Molecular and Engineering Materials Pub Date : 2020-03-01 DOI: 10.1142/s225123732050001x

Ruochen Sun, H. Qi, Pingan Liu, Fangwei Lv

{"title":"Molecular Dynamic Simulations of Diethyl Ether and its Mixture with Cellulose Dinitrate Tripolymer Molecules for their Thermal Diffusion Behaviors","authors":"Ruochen Sun, H. Qi, Pingan Liu, Fangwei Lv","doi":"10.1142/s225123732050001x","DOIUrl":"https://doi.org/10.1142/s225123732050001x","url":null,"abstract":"In this paper, thermal diffusion states of pure diethyl ether and its mixture with cellulose dinitrate tripolymer were uncovered by LAMMPS-based Molecular Dynamic (MD) simulations. Those MD simulations were generally performed through specified ReaxFF reactive force field to obtain the properties of the chemical system such as molecular energy, density, mean square displacement (MSD) and molecular coordinate. The result of MD simulations presented the clear superheating phenomenon of pure liquid diethyl ether system in the studied environment. The obtained phase transition point was much higher than the reported one. The deviation between two temperatures was about 132.369[Formula: see text]K. It was also demonstrated that the transition process was associated with the sharp increment of potential energy, volume, diffusion coefficient and cohesive energy. However, the split of these diethyl ether molecules was not uniform. The cluster-like transition state was observed before the end of the vaporing process (460[Formula: see text]K). As for the addition of cellulose dinitrate tripolymer, these molecules were not agglomerated in the simulated organic mixture. However, the diffusion of cellulose dinitrate tripolymer was much weaker than those diethyl ether molecules. While the concentration of cellulose dinitrate tripolymer was higher, molecular interactions of this organic mixture were consequently improved, and this further limited the diffusion behavior of the entire chemical system. It could be concluded that the diffusion behavior of the entire organic system was decreased with more amount of cellulose dinitrate tripolymer molecules.","PeriodicalId":16406,"journal":{"name":"Journal of Molecular and Engineering Materials","volume":"08 1","pages":"2050001"},"PeriodicalIF":1.5,"publicationDate":"2020-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1142/s225123732050001x","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"49380949","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

A Modified Law of Heat Conduction of Thermoelasticity with Fractional Derivative and Relaxation Time 用分数导数和弛豫时间修正的热弹性导热定律

IF 1.5

Journal of Molecular and Engineering Materials Pub Date : 2020-03-01 DOI: 10.1142/s2251237320500033

A. Abouelregal

{"title":"A Modified Law of Heat Conduction of Thermoelasticity with Fractional Derivative and Relaxation Time","authors":"A. Abouelregal","doi":"10.1142/s2251237320500033","DOIUrl":"https://doi.org/10.1142/s2251237320500033","url":null,"abstract":"(1) In the present work, a new modified thermoelasticity theory with fractional order has been constructed based on fractional calculus and Taylor series expansion of time-fractional order. The models of fractional thermoelasticity proposed by Sherief et al. [H. H. Sherief, A. M. A. El-Sayed and A. M. Abd El-Latief, Int. J. Solids Struct. 47, 269 (2010)], Ezzat [M. A. Ezzat, Phys. B 406, 30 (2011)] and Lord and Shulman with one relaxation time [H. W. Lord and Y. H. Shulman, J. Mech. Phys. Solids 15(5), 299 (1967)] as well as coupled thermoelasticity [M. A. Biot, J. Appl. Phys. 27, 240 (1956)] follow as limiting cases. This modified model is applied to an infinitely long annular cylinder. The inner and outer surfaces of the cylinder are traction free and subjected to known surrounding temperatures. Laplace transform technique will be used to get the solutions of all physical quantities. Some comparisons are shown in figures and tables to assess the effects of the fractional-order parameters in the studied fields. Results of some earlier researchers have been deduced from the current formulation. Finally, a conclusion about the new modified model has been promoted according to the analysis and numerical results.","PeriodicalId":16406,"journal":{"name":"Journal of Molecular and Engineering Materials","volume":"08 1","pages":"2050003"},"PeriodicalIF":1.5,"publicationDate":"2020-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1142/s2251237320500033","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"49485322","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 7

Investigation of Structural, Dielectric and Electrical Properties of Barium Titanate Ceramics Co-Doped with Bismuth and Yttrium 铋钇共掺杂钛酸钡陶瓷的结构、介电和电学性能研究

IF 1.5

Journal of Molecular and Engineering Materials Pub Date : 2019-11-26 DOI: 10.1142/s2251237319500060

S. Islam, Syed Abdus Satter, N. Khatun, M. S. Hossain, S. Farhad, P. Bała, S. Tabassum, A. Siddika

{"title":"Investigation of Structural, Dielectric and Electrical Properties of Barium Titanate Ceramics Co-Doped with Bismuth and Yttrium","authors":"S. Islam, Syed Abdus Satter, N. Khatun, M. S. Hossain, S. Farhad, P. Bała, S. Tabassum, A. Siddika","doi":"10.1142/s2251237319500060","DOIUrl":"https://doi.org/10.1142/s2251237319500060","url":null,"abstract":"Bismuth and Yttrium co-doped Barium Titanate (BaTiO3) ceramics with the general formula (Ba[Formula: see text]BiX) (YxTi[Formula: see text]) O3 (where [Formula: see text], 0.01, 0.03, 0.05) have been synthesized at 1300∘C for 3[Formula: see text]h by the standard solid-state reaction method. The prepared samples were characterized by X-ray diffraction (XRD), Scanning Electron Microscope (SEM) and Impedance Analyzer. Temperature-dependent dielectric properties of the samples were also measured. The XRD result revealed perovskite structure for un-doped and co-doped BaTiO3 with tetragonal phase. However, with increasing doping concentration, a Pseudo cubic phase occurs also confirmed by the twin peaks (002) and (200) of XRD pattern. From SEM micrograph, submicron size particles were observed for all synthesized BaTiO3 samples and exhibit a narrow size distribution with quiet uniform morphology. The crystalline size for un-doped BaTiO3 found was 24.26[Formula: see text]nm, the size decreases (minimum 19.59[Formula: see text]nm for [Formula: see text]) for all compositions of co-doped BaTiO3. Dielectric constant values were apparently high and direct current (DC) resistivity follows a decreasing trend at higher doping concentration. The sample doped with [Formula: see text] shows minimum DC resistivity and maximum dielectric constant among the samples investigated.","PeriodicalId":16406,"journal":{"name":"Journal of Molecular and Engineering Materials","volume":" ","pages":""},"PeriodicalIF":1.5,"publicationDate":"2019-11-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1142/s2251237319500060","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"48889848","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 3

High Energy Density Asymmetric Supercapacitor Based on NiCo2S4/CNTs Hybrid and Carbon Nanotube Paper Electrodes 基于NiCo2S4/CNTs复合电极和碳纳米管纸电极的高能量密度非对称超级电容器

IF 1.5

Journal of Molecular and Engineering Materials Pub Date : 2019-10-25 DOI: 10.1142/s2251237319500047

M. Sajjad, Xu Chen, Chunxin Yu, Linlin Guan, Shuyu Zhang, Yang Ren, Xiaowei Zhou, Zhu Liu

{"title":"High Energy Density Asymmetric Supercapacitor Based on NiCo2S4/CNTs Hybrid and Carbon Nanotube Paper Electrodes","authors":"M. Sajjad, Xu Chen, Chunxin Yu, Linlin Guan, Shuyu Zhang, Yang Ren, Xiaowei Zhou, Zhu Liu","doi":"10.1142/s2251237319500047","DOIUrl":"https://doi.org/10.1142/s2251237319500047","url":null,"abstract":"NiCo2S4/CNTs (NCS/CNTs) hybrid nanostructures have been synthesized by a facile one-step solvothermal method with varying content of CNTs. The structure and morphology of the synthesized NCS/CNTs hybrid revealed the formation of platelets anchored on the CNT matrix. When evaluated as electrode materials for supercapacitor, the as-synthesized NCS/CNT-1 hybrid (with 1% of CNT) manifested remarkable specific capacitance of 1690[Formula: see text]F[Formula: see text]g[Formula: see text] at the current density of 5[Formula: see text]A[Formula: see text]g[Formula: see text]. More importantly, an asymmetric supercapacitor (ASC) assembled based on NCS/CNT-1 as positive electrode and carbon nanotube paper (CNP) as a negative electrode delivered high energy density of 58[Formula: see text]Wh[Formula: see text]kg[Formula: see text] under power density of 8[Formula: see text]kW[Formula: see text]kg[Formula: see text]. Furthermore, the ASC device exhibited high cycling stability and 77.7% of initial specific capacitance retention after 7000 charge–discharge cycles at a current density of 8[Formula: see text]A[Formula: see text]g[Formula: see text]. The large enhancement in the electrochemical performance is attributed to the benefits of the nanostructured architecture, including good mechanical stability, high electrical conductivity as well as buffering for the volume changes during charge–discharge process. These convincing results show that NCS/CNTs hybrid nanostructures are promising electrode materials for high energy density supercapacitors (SCs).","PeriodicalId":16406,"journal":{"name":"Journal of Molecular and Engineering Materials","volume":" ","pages":""},"PeriodicalIF":1.5,"publicationDate":"2019-10-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1142/s2251237319500047","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"48628515","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 22

MnO2 Nanorods Embedded Reduced Graphene Oxide Nanocomposite with Ultrahigh Specific Capacitance and Excellent Cyclic Stability for High Performance Supercapacitors 用于高性能超级电容器的具有超高比电容和优异循环稳定性的MnO2纳米棒嵌入还原氧化石墨烯纳米复合材料

IF 1.5

Journal of Molecular and Engineering Materials Pub Date : 2019-10-25 DOI: 10.1142/s2251237319500059

M. Sajjad, A. Iqbal, Muhammad Ibrar Khan, M. Qureshi, Y. Khan

{"title":"MnO2 Nanorods Embedded Reduced Graphene Oxide Nanocomposite with Ultrahigh Specific Capacitance and Excellent Cyclic Stability for High Performance Supercapacitors","authors":"M. Sajjad, A. Iqbal, Muhammad Ibrar Khan, M. Qureshi, Y. Khan","doi":"10.1142/s2251237319500059","DOIUrl":"https://doi.org/10.1142/s2251237319500059","url":null,"abstract":"Excellent cycling stability along with a high specific capacitance of the electrode material is the primary requirement for supercapacitor (SC) in recent years. Exceptionally simple and cost-effective solution process is employed for the first time to prepare [Formula: see text]-MnO2/rGO composites, in which KMnO4 content varies from (2[Formula: see text]mg, 4[Formula: see text]mg, 6[Formula: see text]mg and 8[Formula: see text]mg). The morphological analysis showed that [Formula: see text]-MnO2/rGO composites possess nanorod like morphology and were fully covered with rGO sheet. Among all composites, the sample with 6[Formula: see text]mg content of KMnO4 denoted as [Formula: see text]-MnO2/rGO composite (S–3) showed excellent supercapacitive performance with a specific capacitance of 720[Formula: see text]F/g at a current density of 4 A g[Formula: see text] with excellent cycling stability of 93% after 2000 cycles. Furthermore, these nanocomposites showed excellent supercapacitive properties with specific capacitances of 720–498 F/g at the current density of 4 A g[Formula: see text] with cycling stabilities of 71%, 68% and 60%, respectively.","PeriodicalId":16406,"journal":{"name":"Journal of Molecular and Engineering Materials","volume":" ","pages":""},"PeriodicalIF":1.5,"publicationDate":"2019-10-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1142/s2251237319500059","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"49371405","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 7

Characterization by Photoluminescence and Raman Spectroscopy of the Oxide Scales Grown on the PM2000 at High Temperatures 高温下PM2000上生长的氧化皮的光致发光和拉曼光谱表征

IF 1.5

Journal of Molecular and Engineering Materials Pub Date : 2019-09-25 DOI: 10.1142/s2251237319500035

Samiha Hakkar, S. Achache, F. Sanchette, Z. Mekhalif, N. Kamoun, A. Boumaza

{"title":"Characterization by Photoluminescence and Raman Spectroscopy of the Oxide Scales Grown on the PM2000 at High Temperatures","authors":"Samiha Hakkar, S. Achache, F. Sanchette, Z. Mekhalif, N. Kamoun, A. Boumaza","doi":"10.1142/s2251237319500035","DOIUrl":"https://doi.org/10.1142/s2251237319500035","url":null,"abstract":"The microstructural change of a thermal oxidation on a PM2000 superalloy was investigated after a 48 h isothermal heat-treatment. The oxides (transitions aluminas, [Formula: see text]-alumina and mixed oxides) were characterized using the Raman spectroscopy, the Photoluminescence (PL) spectroscopy, MEB observations and the X-ray diffraction for temperatures between 600°C and 1200°C. The X-ray diffraction results under conventional incidence conditions make it possible to estimate the crystallites size and the specific surfaces of the [Formula: see text]-alumina. The PL analyses at various excitation wavelengths (200[Formula: see text]nm, 234[Formula: see text]nm, 326[Formula: see text]nm and 532[Formula: see text]nm) provide important information on the existing defects (intrinsic and extrinsic) according to the oxidation temperature. The Raman spectroscopy ([Formula: see text].18[Formula: see text]nm) gives the various signatures of the various alumina generated ([Formula: see text], [Formula: see text], [Formula: see text] and [Formula: see text]-Al2O3).","PeriodicalId":16406,"journal":{"name":"Journal of Molecular and Engineering Materials","volume":"1 1","pages":""},"PeriodicalIF":1.5,"publicationDate":"2019-09-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1142/s2251237319500035","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"41905892","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 6

In-Silico Prediction on the MSAMS-Assisted Immobilization of Bovine Serum Albumin on 10MHz Piezoelectric Immunosensors MSMS辅助10MHz压电免疫传感器固定化牛血清白蛋白的原位硅预测

IF 1.5

Journal of Molecular and Engineering Materials Pub Date : 2019-09-23 DOI: 10.1142/S2251237319500011

Kaory Barrientos Urdinola, Paula Andrea Marín Muñoz, Pedronel Araque Marín, Marisol Jaramillo Grajales

{"title":"In-Silico Prediction on the MSAMS-Assisted Immobilization of Bovine Serum Albumin on 10MHz Piezoelectric Immunosensors","authors":"Kaory Barrientos Urdinola, Paula Andrea Marín Muñoz, Pedronel Araque Marín, Marisol Jaramillo Grajales","doi":"10.1142/S2251237319500011","DOIUrl":"https://doi.org/10.1142/S2251237319500011","url":null,"abstract":"The biological sensing interface on the active area of a piezo transducer is responsible for the sensitivity, specificity, reusability, and reproducibility of these devices. Among the approaches used to functionalize piezo transducers, mixed self-assembled monolayers (MSAMs) are one of the most successful, given that they allow the obtaining of semi-crystalline molecular arrays and the arrangement of a bioreceptor on the surface. But, to deploy MSAMs on a substrate effectively, one must optimize and characterize the structural ratio between them and the bioreceptor. In this paper, we developed a molecular model of the interaction between Bovine Serum Albumin (BSA) and MSAMs-functionalized gold substrates. First, we evaluated the conditions for the functionalization of the substrates and found that a 50:1 16-mercaptohexadecaonic acid (MHDA) to 11 mercapto-1-undecanol (MUA) ratio produced the best features on the surface. We also evaluated the specific conditions to immobilize BSA on MSAMs (using the afore-established ratio) via Atomic Force Microscopy (AFM), and then on a 10[Formula: see text]MHz quartz crystal microbalance (QCM), and with the data obtained we concluded that a structural ratio of 0.005 (MSAM/BSA) is obtained when 1[Formula: see text][Formula: see text]M MHDA and 200[Formula: see text][Formula: see text]g/mL BSA were used, provided the most suitable conditions for the functionalization of a piezo transducer.","PeriodicalId":16406,"journal":{"name":"Journal of Molecular and Engineering Materials","volume":" ","pages":""},"PeriodicalIF":1.5,"publicationDate":"2019-09-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1142/S2251237319500011","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"42412838","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 2

Influence of Li2+ Doping on the Structural and Optical Properties of CaO Synthesized by Sol–Gel Process Li2+掺杂对溶胶-凝胶法制备CaO结构和光学性能的影响

IF 1.5

Journal of Molecular and Engineering Materials Pub Date : 2019-09-23 DOI: 10.1142/S2251237319500023

Nadir Lalou, A. Kadari

{"title":"Influence of Li2+ Doping on the Structural and Optical Properties of CaO Synthesized by Sol–Gel Process","authors":"Nadir Lalou, A. Kadari","doi":"10.1142/S2251237319500023","DOIUrl":"https://doi.org/10.1142/S2251237319500023","url":null,"abstract":"This work proposes the synthesis of nanocrystalline calcium oxide (CaO) pure and doped with different concentrations of lithium (Li[Formula: see text]) ions by sol–gel process. Calcium nitrate (Ca(NO[Formula: see text]4H2O; 99.99%) and lithium nitrate (LiNO3; 99.99%) were used as precursors. The synthesized powders were characterized by several techniques such as: UV-Vis transmission spectroscopy, Fourier Transform Infra-red spectroscopy (FT-IR) and X-ray diffraction (XRD). The main objective of this paper is to study the influence of lithium (Li[Formula: see text] ratio) on the structural and optical properties of synthesized powders. The band gap values decreased with the increasing of Li[Formula: see text] ions in CaO lattice; the slight change in the band gap was directly related to the energy transfer between the CaO excited states and the 2s levels of Li[Formula: see text] ions. The influence of Li[Formula: see text] doping on the physical properties of CaO nanocrystalline will be studied for the first time in this work; no literature has previously published this kind of impurities.","PeriodicalId":16406,"journal":{"name":"Journal of Molecular and Engineering Materials","volume":" ","pages":""},"PeriodicalIF":1.5,"publicationDate":"2019-09-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1142/S2251237319500023","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"49253406","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Expired Atenolol Drug: A Nontoxic Corrosion Inhibitor for Al in 3 M HCl Pickling Environment 失效阿替洛尔药物：一种在3M盐酸酸洗环境中对铝的无毒缓蚀剂

IF 1.5

Journal of Molecular and Engineering Materials Pub Date : 2019-09-01 DOI: 10.1142/s2251237319500096

N. Raghavendra, Deeksha S. Sheelimath, Soumya R. Chitnis

引用次数: 3