scholarly journals Theoretical Prediction of Mechanical Strength and Desalination Performance of One-Atom-Thick Hydrocarbon Polymer in Pressure-Driven Separation

Polymers ◽  
2019 ◽  
Vol 11 (8) ◽  
pp. 1358 ◽  
Author(s):  
Shuangqing Sun ◽  
Fei Shan ◽  
Qiang Lyu ◽  
Chunling Li ◽  
Songqing Hu

One-atom-thick materials hold promise for the future of membrane-based gas purification and water filtration applications. However, there are a few investigations on the mechanical properties of these materials under pressure-driven condition. Here, by employing molecular simulation techniques and continuum mechanics simulation, we investigate the mechanical strength of two-dimensional hydrocarbon polymers containing sub-nanometer pores with various topologies. We demonstrate that the mechanical strengths of the membranes are correlated with their pore sizes and geometries. In addition, when the pore size of substrates is controlled within a reasonable range, all of the membrane candidates can withstand the practical hydraulic pressure of few megapascal. The studied materials also exhibit better seawater desalination performance as compared to the traditional polymeric reverse osmosis membrane. This work presents a new route to design new separation membrane, and also propose a simulation method to evaluate the mechanical strength and desalination performance.

2017 ◽  
Vol 34 (1) ◽  
pp. 38-52 ◽  
Author(s):  
Pedro Carlos Oprime ◽  
Glauco Henrique de Sousa Mendes

Purpose The purpose of this paper is to find the configuration of the number (m) and size (n) of the sample in Phase I that would make it possible to detect the out-of-control (OOC) state of the process with the smallest number of samples and ensure a capability index (Cpk) that would meet the customer’s requirements. Design/methodology/approach The suggested approach addresses this problem using simulation techniques and design of experiments (DOE). The simulation techniques made it possible to reproduce the normal operating conditions of the process. The DOE was used to construct a predictive model for control chart performance and thus to determine combinations of m and n in Phase I that would meet the capability objectives of the process. A numerical example and a simulation study were conducted to illustrate the proposed method. Findings Using simulation techniques and DOE, the authors can find the number (m) and size (n) of the sample in Phase I that would make it possible to detect the OOC state of the process with the smallest number of samples and ensure a Cpk that would meet the customer’s requirements. Originality/value In the real situations of many companies, choosing the numbers and sizes of samples (m and n) in Phases I and II is a crucial decision in relation to implementing a control chart. The paper shows that the simulation method and use of linear regression are effective alternatives because they are better known and more easily applied in industrial settings. Therefore, the need for alternatives to the X control chart comes into play.


2014 ◽  
Vol 26 (6) ◽  
pp. 1055-1079 ◽  
Author(s):  
Michiel D'Haene ◽  
Michiel Hermans ◽  
Benjamin Schrauwen

In the field of neural network simulation techniques, the common conception is that spiking neural network simulators can be divided in two categories: time-step-based and event-driven methods. In this letter, we look at state-of-the art simulation techniques in both categories and show that a clear distinction between both methods is increasingly difficult to define. In an attempt to improve the weak points of each simulation method, ideas of the alternative method are, sometimes unknowingly, incorporated in the simulation engine. Clearly the ideal simulation method is a mix of both methods. We formulate the key properties of such an efficient and generally applicable hybrid approach.


2013 ◽  
Vol 446-447 ◽  
pp. 12-17
Author(s):  
Zhi Hong Mao ◽  
Fu Bing Bao ◽  
Yuan Lin Huang

Molecular dynamics simulation method was used to study the rarefied gaseous flows in nanochannels. A pressure-driven force was introduced to drive the gas to flow between two parallel walls. The effects of driven force magnitude and channel height were investigated. The results show that a single layer of gaseous molecules is adsorbed on the wall surface. The density of adsorption layer decreases with the increase of channel height, but doesnt vary with driven force. The velocity profile across the channel has the traditional parabolic shape. The average velocity and gas slip velocity on the wall increase linearly with the increase of pressure-driven force. The gas slip velocity decreases linearly with the increase of channel height. The ratio of slip to average velocity decreases linearly with the increase of channel height.


2009 ◽  
Vol 628-629 ◽  
pp. 239-244
Author(s):  
Z.J. Wen ◽  
De Shun Liu ◽  
Shu Yi Yang

According to poor computational accuracy at small to median sample sizes of Monte Carlo ( MC ) simulation techniques in estimating the probability failure of mechanical structures, the number theoretical net ( NT-net ) simulation method is proposed to reduce computing effort. Several key concepts, such as good point set, good-lattice point ( glp ), discrepancy and NT-net method, are defined. The sampling stategy is improved by introducing NT-net that can provide better convergent rate over MC. The new method is used to estimate failure probability of the side impact bar on the car door. Results indicate the computational effort needed by NT-net for the same accuracy is about 1/12 of that needed by the MC-based method, and the obtained results are more stable.


2019 ◽  
Author(s):  
Juliane Neumann ◽  
Christine Angrick ◽  
Celina Höhn ◽  
Dirk Zajonz ◽  
Mohamed Ghanem ◽  
...  

Abstract Background The design and internal layout of modern operating rooms are influencing the team’s collaboration and communication, ergonomics, as well as intraoperative hygiene substantially. Nevertheless, there is no objective method for the assessment and design of the personnel and table positions for different surgical disciplines and intervention types available. The aim of this work is to establish an improved OR setup for common procedures in arthroplasty. Methods With the help of computer simulation techniques, a method for the objective design and assessment of enhanced OR setups was developed. In this work, new OR setups were designed, analyzed in a computer simulation environment and evaluated in the actual intraoperative setting. Results The implementation of improved OR setups reduces the instrument handover time between the surgeon and the scrub nurse, the travel paths of the OR team as well as shortens the procedure duration. Additionally, the ergonomics of the OR staff were improved. Conclusion The developed simulation method was intraoperatively evaluated and proved its benefit for the design and optimization of OR setups for different surgical intervention types. As a clinical result, enhanced setups for total knee arthroplasty and total hip arthroplasty surgeries were established in daily clinical routine and the OR efficiency was improved.


2018 ◽  
Vol 16 (1) ◽  
pp. 918-922 ◽  
Author(s):  
Şemsettin Kılınçarslan ◽  
Ebru Yılmaz İnce ◽  
Ebru Başpınar Tuncay ◽  
Fuzuli Yağmurlu

AbstractConcrete is the most commonly used structural material, which is composed of individual base materials. The compressive strength of concrete is important to understand for activities like construction arrangement, prestressing operations, proportioning new mixtures and quality assurance. Concrete has a problem known as Clustering, which is the unsupervised classification of patterns into clusters. The clustering problem has been addressed by several researchers in many contexts and various disciplines; this shows that clustering uses many areas and is an important step in data analysis. In this study, concrete samples with different aggregate types and normal strength were produced. Clustering analysis was performed on the effect of aggregate species for its mechanical strength. According to the result of clustering analysis, it was found that there were three different groups, the study predicts that clustering is not related to the origins of the rocks but is clustered between the strength of the rocks and the mechanical strengths of the concretes produced within these rocks. The common feature of L, RL and SG aggregates in the first cluster is that it is a sedimentary rock. The aggregate of the concrete in the second cluster is that it is a volcanic superficial rock. The common feature of DO and TB rocks in the third cluster is that it has high density. As a result, it was determined that the clay made in normal class concrete is related to the mechanical strength of rocks.


2020 ◽  
Author(s):  
Juliane Neumann ◽  
Christine Angrick ◽  
Celina Höhn ◽  
Dirk Zajonz ◽  
Mohamed Ghanem ◽  
...  

Abstract Background The design and internal layout of modern operating rooms are influencing the team’s collaboration and communication, ergonomics, as well as intraoperative hygiene substantially. Nevertheless, there is no objective method for the assessment and design of the personnel and table positions for different surgical disciplines and intervention types available. The aim of this work is to establish an improved OR setup for common procedures in arthroplasty. Methods With the help of computer simulation techniques, a method for the objective design and assessment of enhanced OR setups was developed. In this work, new OR setups were designed, analyzed in a computer simulation environment and evaluated in the actual intraoperative setting. Results The implementation of improved OR setups reduces the instrument handover time between the surgeon and the scrub nurse, the travel paths of the OR team as well as shortens the procedure duration. Additionally, the ergonomics of the OR staff were improved. Conclusion The developed simulation method was intraoperatively evaluated and proved its benefit for the design and optimization of OR setups for different surgical intervention types. As a clinical result, enhanced setups for total knee arthroplasty and total hip arthroplasty surgeries were established in daily clinical routine and the OR efficiency was improved.


2011 ◽  
Vol 14 (4) ◽  
pp. 251-258 ◽  
Author(s):  
Abdullah M. Asiri ◽  
Salman A. Khan ◽  
Ibrahim S. El-Hallag ◽  
Ibrahim S. [email protected]

Three carbazole chromophores derivatives featuring dicyno, cyano, ethyl acetate and dimethyl acetate groups as an acceptor moiety with a ? – conjugated spacer and N-methyl dibenzo[b]pyrole as donor were investigated electrochemically at a platinum electrode in 0.1 mol/L tetraethylammonium chloride (TEACl) in acetonitrile solvent via cyclic voltammetry, convolution – deconvolution transforms and digital simulation techniques. Cyclic voltammetric study revealed that the presence of a single reversible oxidative peak due to two sequential electron transfer (EE scheme) and unidirectional reductive peak which proceed as ECEC mechanism. The electrode reaction pathway, the relevant chemical and electrochemical parameters of the investigated carbazole chromophores were determined using cyclic voltammetry, convolution- deconvolution transforms and chronoamperograms. The extracted electrochemical parameters and the nature of the electrode reaction were verified & confirmed via digital simulation method.


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