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Simulation of Small Molecules Permeation Through Polymer Matrix 聚合物基质中小分子渗透的模拟
IF 1.5
Journal of Molecular and Engineering Materials Pub Date : 2016-12-01 DOI: 10.1142/S2251237316400189
A. Fleury, Xu Li, A. Soldera
{"title":"Simulation of Small Molecules Permeation Through Polymer Matrix","authors":"A. Fleury, Xu Li, A. Soldera","doi":"10.1142/S2251237316400189","DOIUrl":"https://doi.org/10.1142/S2251237316400189","url":null,"abstract":"New technologies deeply depend on the ability of chemists to synthesize new functional materials. However, this synthetic step requires great efforts. Moreover, it is very likely that the ensuing compound does not fit the expected properties. With the advent of simulation, associated with the increase in computer performance and efficiency of codes, a screening of the best potential candidates to be synthesized becomes available. Accordingly, getting a polymer with a specific permeability, and also understanding the molecular reasons underlying this process, are some of the assets of molecular simulation. Nevertheless, representation of a material from a molecular perspective is not straightforward. A specific protocol must be established. It takes into account the fact that calculations are carried out on very tiny systems. An accurate depiction and perpetual validations confronting simulated results with experimental data make the protocol relevant. The computation of the penetrants’ diffusion coefficient and solubility is then introduced, in order to reveal the simulation of the permeation of a small molecule through an amorphous polymer system. The paper concludes with the most recent studies on the subject.","PeriodicalId":16406,"journal":{"name":"Journal of Molecular and Engineering Materials","volume":"04 1","pages":"1640018"},"PeriodicalIF":1.5,"publicationDate":"2016-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1142/S2251237316400189","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"63850240","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
Metal–Organic Framework for Selective Gas Scavenging 选择性气体清除的金属-有机框架
IF 1.5
Journal of Molecular and Engineering Materials Pub Date : 2016-12-01 DOI: 10.1142/S2251237316400141
Jiating He, Xu Li
{"title":"Metal–Organic Framework for Selective Gas Scavenging","authors":"Jiating He, Xu Li","doi":"10.1142/S2251237316400141","DOIUrl":"https://doi.org/10.1142/S2251237316400141","url":null,"abstract":"Selective gas adsorption plays an important role in adsorptive separation of gases and scavenging unfavorable or hazardous gases. The use of cost-effective and environmentally friendly materials fo...","PeriodicalId":16406,"journal":{"name":"Journal of Molecular and Engineering Materials","volume":"04 1","pages":"1640014"},"PeriodicalIF":1.5,"publicationDate":"2016-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1142/S2251237316400141","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"63850648","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
Functions of Nano-Materials in Food Packaging 纳米材料在食品包装中的作用
IF 1.5
Journal of Molecular and Engineering Materials Pub Date : 2016-12-01 DOI: 10.1142/S2251237316400153
R. C. C. Yap, Amegadze Paul Seyram Kwablah, Jiating He, Xu Li
{"title":"Functions of Nano-Materials in Food Packaging","authors":"R. C. C. Yap, Amegadze Paul Seyram Kwablah, Jiating He, Xu Li","doi":"10.1142/S2251237316400153","DOIUrl":"https://doi.org/10.1142/S2251237316400153","url":null,"abstract":"Food packaging has been changing from bulky and rigid form in the past to different variation of lights and plastic packagings. Regardless of the changes, the packaging must be able to uphold its original function which is to serve as food containment as well as to protect the food from the external environment. Coupled with the increasing consumer’s awareness on food waste, higher standard of living, technological developments are underway to enhance the shelf-life of packed food as well as methods to provide indications of food packaging environment. There are many different indicators for food spoilage, but two commonly found gases in food packaging are oxygen and carbon dioxide. Oxygen is the main mechanism for food spoilage, while carbon dioxide is often used in modified-atmosphere-packaging. There are also different methods of gas scavenging and/or sensing techniques based on different concepts in the literature. In this review, the focus will be on nano-materials, namely titanium dioxide, silica, zeolites and metal organic frameworks. This review is structured in a manner to highlight how each material can be used in both gas scavenging and/or indicators applications. The last part of the review focuses on the approach and some key considerations when integrating nano-materials into the plastic film.","PeriodicalId":16406,"journal":{"name":"Journal of Molecular and Engineering Materials","volume":"04 1","pages":"1640015"},"PeriodicalIF":1.5,"publicationDate":"2016-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1142/S2251237316400153","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"63850656","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
Anticorrosion Coatings Based on Zinc Phosphate and Zinc Molybdate Nanoparticles 基于磷酸锌和钼酸锌纳米颗粒的防腐涂料
IF 1.5
Journal of Molecular and Engineering Materials Pub Date : 2016-12-01 DOI: 10.1142/S2251237316400177
A. Jalilov, P. Marella, J. Claverie
{"title":"Anticorrosion Coatings Based on Zinc Phosphate and Zinc Molybdate Nanoparticles","authors":"A. Jalilov, P. Marella, J. Claverie","doi":"10.1142/S2251237316400177","DOIUrl":"https://doi.org/10.1142/S2251237316400177","url":null,"abstract":"Zinc phosphate, and zinc molybdate nanoparticles were prepared from inverse microemulsions of inorganic salts stabilized by a mixture of nonionic and ionic surfactants in cyclohexane. The optimal ratios of surfactants to inorganic salts were found experimentally. The resulting nanoparticles were characterized by transmission electron microscopy, scanning electron microscopy, and X-ray diffraction. These nanoparticles were then mixed to epoxy formulations, which were applied to steel coupons. After accelerated aging, the electrochemical characteristics of the corrosion were analyzed by electrochemical impedance spectroscopy. The nanoparticles increase the corrosion resistance of the coating, indicating that the use of zinc phosphate and zinc molybdate nanoparticles offer a promising route for the mitigation of steel corrosion.","PeriodicalId":16406,"journal":{"name":"Journal of Molecular and Engineering Materials","volume":"04 1","pages":"1640017"},"PeriodicalIF":1.5,"publicationDate":"2016-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1142/S2251237316400177","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"63850230","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
Investigation of Friction and Wear Properties of Electroless Ni-P-Cu Coating Under Dry Condition 化学镀Ni-P-Cu涂层干燥摩擦磨损性能研究
IF 1.5
Journal of Molecular and Engineering Materials Pub Date : 2016-12-01 DOI: 10.1142/S225123731640013X
Santanu Duari, Arkadeb Mukhopadhyay, T. Barman, P. Sahoo
{"title":"Investigation of Friction and Wear Properties of Electroless Ni-P-Cu Coating Under Dry Condition","authors":"Santanu Duari, Arkadeb Mukhopadhyay, T. Barman, P. Sahoo","doi":"10.1142/S225123731640013X","DOIUrl":"https://doi.org/10.1142/S225123731640013X","url":null,"abstract":"This study presents the deposition and tribological characterization of electroless Ni–P–Cu coatings deposited on AISI 1040 steel specimens. After deposition, coatings are heat treated at 500∘C for...","PeriodicalId":16406,"journal":{"name":"Journal of Molecular and Engineering Materials","volume":"04 1","pages":"1640013"},"PeriodicalIF":1.5,"publicationDate":"2016-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1142/S225123731640013X","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"63850591","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: 10
Recent Progress in Atomic Layer Deposition of Multifunctional Oxides and Two-Dimensional Transition Metal Dichalcogenides 多功能氧化物和二维过渡金属二硫族化合物原子层沉积研究进展
IF 1.5
Journal of Molecular and Engineering Materials Pub Date : 2016-12-01 DOI: 10.1142/S2251237316400104
Hongfei Liu
{"title":"Recent Progress in Atomic Layer Deposition of Multifunctional Oxides and Two-Dimensional Transition Metal Dichalcogenides","authors":"Hongfei Liu","doi":"10.1142/S2251237316400104","DOIUrl":"https://doi.org/10.1142/S2251237316400104","url":null,"abstract":"Atomic layer deposition (ALD) has long been developed for conformal coating thin films on planar surfaces and complex structured substrates based on its unique sequential process and self-limiting surface chemistry. In general, the coated thin films can be dielectrics, semiconductors, conductors, metals, etc., while the targeted surface can vary from those of particles, wires, to deep pores, through holes, and so on. The ALD coating technique, itself, was developed from gas-phase chemical vapor deposition, but now it has been extended even to liquid phase coating/growth. Because the thickness of ALD growth is controlled in atomic level (∼0.1nm), it has recently been employed for producing two-dimensional (2D) materials, typically semiconducting nanosheets of transition metal dichalcogenides (TMDCs). In this paper, we briefly introduce recent progress in ALD of multifunctional oxides and 2D TMDCs with the focus being placed on suitable ALD precursors and their ALD processes (for both binary compounds and t...","PeriodicalId":16406,"journal":{"name":"Journal of Molecular and Engineering Materials","volume":"114 1","pages":"1640010"},"PeriodicalIF":1.5,"publicationDate":"2016-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1142/S2251237316400104","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"63850509","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: 20
The Effect of Relaxation Times on Thermoelastic Damping in a Nanobeam Resonator 弛豫时间对纳米束谐振腔热弹性阻尼的影响
IF 1.5
Journal of Molecular and Engineering Materials Pub Date : 2016-11-28 DOI: 10.1142/S2251237316500015
I. Abbas
{"title":"The Effect of Relaxation Times on Thermoelastic Damping in a Nanobeam Resonator","authors":"I. Abbas","doi":"10.1142/S2251237316500015","DOIUrl":"https://doi.org/10.1142/S2251237316500015","url":null,"abstract":"In the present work, in accordance with the generalized theory of thermoelasticity with two thermal relaxation times, the vibration of a thick finite nanobeam resonator has been considered. Both the general thermoelasticity and coupled thermoelasticity (CT) theories with only one relaxation time can be deduced from the present model as special cases. Under clamped conditions for beam, the effect of relaxation times in nanobeam resonator has been investigated. Based on the analytical relationships, the beam deflection, temperature change, frequency shift and thermoelastic damping were investigated and the numerical results were graphically obtained. According to the observed results there is a clear difference between the CT theory, Lord and Shulman’s (LS) theory and Green and Lindsay’s (GL) theory.","PeriodicalId":16406,"journal":{"name":"Journal of Molecular and Engineering Materials","volume":"04 1","pages":"1650001"},"PeriodicalIF":1.5,"publicationDate":"2016-11-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1142/S2251237316500015","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"63850266","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: 8
Two-Dimensional Thermal Shock Problem of Generalized Magneto-Thermoelasticity with a Time-Fractional Heat Conduction Law 具有时间分数热传导定律的广义磁热弹性二维热冲击问题
IF 1.5
Journal of Molecular and Engineering Materials Pub Date : 2016-11-28 DOI: 10.1142/S2251237316500040
M. Bachher, N. Sarkar
{"title":"Two-Dimensional Thermal Shock Problem of Generalized Magneto-Thermoelasticity with a Time-Fractional Heat Conduction Law","authors":"M. Bachher, N. Sarkar","doi":"10.1142/S2251237316500040","DOIUrl":"https://doi.org/10.1142/S2251237316500040","url":null,"abstract":"An electromagneto-thermoelastic coupled problem for a homogeneous, isotropic, thermally and electrically conducting half-space solid whose surface is subjected to a thermal shock is considered in two-dimensional space. The equations of the theory of generalized electromagneto-thermoelasticity with fractional derivative heat transfer allowing the second sound effects are considered. An initial magnetic field acts parallel to the plane boundary of the half-space. The normal mode analysis and the eigenvalue approach techniques are used to solve the resulting nondimensional coupled field equations for the three theories. Numerical results for the temperature, displacements and thermal stresses distributions are presented graphically and discussed. A comparison is made with the results obtained in the presence and absence of the magnetic field.","PeriodicalId":16406,"journal":{"name":"Journal of Molecular and Engineering Materials","volume":"04 1","pages":"1650004"},"PeriodicalIF":1.5,"publicationDate":"2016-11-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1142/S2251237316500040","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"63850351","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
A Study on Photothermal Waves in a Semiconductor Material Photogenerated by a Focused Laser Beam 聚焦激光束在半导体材料中产生光热波的研究
IF 1.5
Journal of Molecular and Engineering Materials Pub Date : 2016-11-28 DOI: 10.1142/S2251237316500039
I. Abbas, K. Aly
{"title":"A Study on Photothermal Waves in a Semiconductor Material Photogenerated by a Focused Laser Beam","authors":"I. Abbas, K. Aly","doi":"10.1142/S2251237316500039","DOIUrl":"https://doi.org/10.1142/S2251237316500039","url":null,"abstract":"In this work, the theory of coupled plasma, thermal and elastic waves were used to investigate the wave propagation on semiconductor material during photo-thermo-elastic process. A thin slim strip (TSS) medium, elastic semiconductor with isotropic and homogeneous thermal and elastic properties have been considered. The plasma, thermal and elastic waves in a TSS photo generated by a focused and intensity modulated laser beam were analyzed. Laplace transform techniques and eigenvalue approach were used to obtain the analytical solutions for carrier density, displacement, temperature, and stress. Numerical computations have been carried out on silicon-like semiconductor material. The results are presented graphically to show the effect of the coupling between the plasma, thermal, and elastic waves.","PeriodicalId":16406,"journal":{"name":"Journal of Molecular and Engineering Materials","volume":"04 1","pages":"1650003"},"PeriodicalIF":1.5,"publicationDate":"2016-11-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1142/S2251237316500039","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"63850334","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
Review on MIEC Cathode Materials for Solid Oxide Fuel Cells 固体氧化物燃料电池用MIEC正极材料研究进展
IF 1.5
Journal of Molecular and Engineering Materials Pub Date : 2016-11-28 DOI: 10.1142/S2251237316300011
Suman Kumar Burnwal, S. Bharadwaj, P. Kistaiah
{"title":"Review on MIEC Cathode Materials for Solid Oxide Fuel Cells","authors":"Suman Kumar Burnwal, S. Bharadwaj, P. Kistaiah","doi":"10.1142/S2251237316300011","DOIUrl":"https://doi.org/10.1142/S2251237316300011","url":null,"abstract":"The cathode is one of the most important components of solid oxide fuel cells (SOFCs). The reduction of oxygen at the cathode (traditional cathodes like LSM, LSGM, etc.) is the slow step in the cell reaction at intermediate temperature (600–800∘C) which is one of the key obstacles to the development of SOFCs. The mixed ionic and electronic conducting cathode (MIEC) like LSCF, BSCF, etc., has recently been proposed as a promising cathode material for SOFC due to the improvement of the kinetic of the cathode reaction. The MIEC materials provide not only the electrons for the reduction of oxygen, but also the ionic conduction required to ensure the transport of the formed oxygen ions and thereby improves the overall electrochemical performance of SOFC system. The characteristics of MIEC cathode materials and its comparison with other traditional cathode materials is studied and presented in the paper.","PeriodicalId":16406,"journal":{"name":"Journal of Molecular and Engineering Materials","volume":"113 1","pages":"1630001"},"PeriodicalIF":1.5,"publicationDate":"2016-11-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1142/S2251237316300011","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"63850359","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: 28
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