共查询到20条相似文献,搜索用时 15 毫秒
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Rostami Sara Kalbasi Rasool Sina Nima Goldanlou Aysan Shahsavar 《Journal of Thermal Analysis and Calorimetry》2021,145(4):2095-2104
Journal of Thermal Analysis and Calorimetry - In this study, the influence of incorporating MWCNT on the thermal conductivity of paraffin was evaluated numerically. Input variables including mass... 相似文献
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Cacua Karen Murshed S. M. Sohel Pabón Elizabeth Buitrago Robison 《Journal of Thermal Analysis and Calorimetry》2020,140(1):109-114
Journal of Thermal Analysis and Calorimetry - Stability of nanofluids is one of the major challenges for their real-world applications and benefits. Although ultrasonication and addition of... 相似文献
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Hyder H. Balla Shahrir Abdullah Wan Mohd Faizal WanMahmood M. Abdul Razzaq Rozli Zulkifli Kamaruzaman Sopian 《Research on Chemical Intermediates》2013,39(6):2801-2815
A metallic nanofluid is a suspension of metallic nanoparticles in a base fluid. Multi-metallic nanoparticles are a combination of two or more types of metallic particles. Such multi-metallic nanoparticles were suspended in water using an ultrasonic vibrator for different total volume fractions and different ratios of metallic/metallic nanoparticles. A transient hot wire setup was built to measure the thermal conductivity of the nanofluid at different temperatures. The experimental results were in good agreement with the results in the literature. Then, the experimental results were used as input data for an adaptive neural fuzzy inference system (ANFIS) to predict the thermal conductivity of the multi-metallic nanofluid. The maximum deviation between the ANFIS results and experimental measurements was 1 %. The predicted results and the experimental data were compared with other models. The ANFIS model was found to have good ability to predict the thermal conductivity of the multi-metallic nanofluid over the range of the experimental results. 相似文献
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Prediction of n-octanol/water partition coefficients from PHYSPROP database using artificial neural networks and E-state indices 总被引:5,自引:0,他引:5
Tetko IV Tanchuk VY Villa AE 《Journal of chemical information and computer sciences》2001,41(5):1407-1421
A new method, ALOGPS v 2.0 (http://www.lnh.unil.ch/~itetko/logp/), for the assessment of n-octanol/water partition coefficient, log P, was developed on the basis of neural network ensemble analysis of 12 908 organic compounds available from PHYSPROP database of Syracuse Research Corporation. The atom and bond-type E-state indices as well as the number of hydrogen and non-hydrogen atoms were used to represent the molecular structures. A preliminary selection of indices was performed by multiple linear regression analysis, and 75 input parameters were chosen. Some of the parameters combined several atom-type or bond-type indices with similar physicochemical properties. The neural network ensemble training was performed by efficient partition algorithm developed by the authors. The ensemble contained 50 neural networks, and each neural network had 10 neurons in one hidden layer. The prediction ability of the developed approach was estimated using both leave-one-out (LOO) technique and training/test protocol. In case of interseries predictions, i.e., when molecules in the test and in the training subsets were selected by chance from the same set of compounds, both approaches provided similar results. ALOGPS performance was significantly better than the results obtained by other tested methods. For a subset of 12 777 molecules the LOO results, namely correlation coefficient r(2)= 0.95, root mean squared error, RMSE = 0.39, and an absolute mean error, MAE = 0.29, were calculated. For two cross-series predictions, i.e., when molecules in the training and in the test sets belong to different series of compounds, all analyzed methods performed less efficiently. The decrease in the performance could be explained by a different diversity of molecules in the training and in the test sets. However, even for such difficult cases the ALOGPS method provided better prediction ability than the other tested methods. We have shown that the diversity of the training sets rather than the design of the methods is the main factor determining their prediction ability for new data. A comparative performance of the methods as well as a dependence on the number of non-hydrogen atoms in a molecule is also presented. 相似文献
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Gonzalo Astray Juan F. Gálvez Juan C. Mejuto Oscar A. Moldes Iago Montoya 《Journal of computational chemistry》2013,34(5):355-359
In this article, an artificial neural network to predict the flash point of 95 esters was implemented. Four variables were used for its development. A neural network with 4‐5‐8‐5‐1 topology was encountered to gain the best agreement of the experimental results with those predicted (square correlation coefficient (R2) and root mean square error were 0.99 and 5.46 K for the training phase and 0.96 and 13.02 K for the testing set). © 2012 Wiley Periodicals, Inc. 相似文献
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《Arabian Journal of Chemistry》2023,16(5):104689
In this theoretical–experimental study, the basic parameters effect such as solid volume fraction (SVF or φ) and temperature on thermal conductivity (TC) of SWCNT-CuO (25:75)/water nanofluid (NF) has been investigated. The used NF in this study has been prepared and used for the first time. Monitoring and investigation of TC were done in T = 28 to 50?C and SVF = 0.03 % to 1.15 %. The role of SVF effective in relative thermal conductivity (RTC) with changing of the temperature shows the importance of this factor in improving the RTC; results show that the better TC is T = 50 °C compared to other temperatures. Also, the maximum enhancement of TC compared to the base fluid (BF) (36 %) was observed at the mentioned temperature. In addition to the laboratory tests such as the margin of deviation (MOD) and RTC sensitivity within the range of ?1.90 %<MOD < 1.42 % in the theoretical section, a new relationship was predicted using the response surface methodology (RSM). A comparison was also made between SWCNT-CuO (25:75)/water NF and other NFs at the same temperature and SVF, which shows the increased RTC of the NF after using SWCNT (25 %). 相似文献
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Thermal conductivity modeling of MgO/EG nanofluids using experimental data and artificial neural network 总被引:1,自引:0,他引:1
Mohammad Hemmat Esfe Seyfolah Saedodin Mehdi Bahiraei Davood Toghraie Omid Mahian Somchai Wongwises 《Journal of Thermal Analysis and Calorimetry》2014,118(1):287-294
The application of nanofluids in energy systems is developing day by day. Before using a nanofluid in an energy system, it is necessary to measure the properties of nanofluids. In this paper, first the results of experiments on the thermal conductivity of MgO/ethylene glycol (EG) nanofluids in a temperature range of 25–55 °C and volume concentrations up to 5 % are presented. Different sizes of MgO nanoparticles are selected to disperse in EG, including 20, 40, 50, and 60 nm. Based on the results, an empirical correlation is presented as a function of temperature, volume fraction, and nanoparticle size. Next, the model of thermal conductivity enhancement in terms of volume fraction, particle size, and temperature was developed via neural network based on the measured data. It is observed that neural network can be used as a powerful tool to predict the thermal conductivity of nanofluids. 相似文献
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Artificial neural networks (ANNs) are relatively new computational tools that have found extensive utilization in solving many complex real-world problems. This paper describes how an ANN can be used to identify the spectral lines of elements. The spectral lines of Cadmium (Cd), Calcium (Ca), Iron (Fe), Lithium (Li), Mercury (Hg), Potassium (K) and Strontium (Sr) in the visible range are chosen for the investigation. One of the unique features of this technique is that it uses the whole spectrum in the visible range instead of individual spectral lines. The spectrum of a sample taken with a spectrometer contains both original peaks and spurious peaks. It is a tedious task to identify these peaks to determine the elements present in the sample. ANNs capability of retrieving original data from noisy spectrum is also explored in this paper. The importance of the need of sufficient data for training ANNs to get accurate results is also emphasized. Two networks are examined: one trained in all spectral lines and other with the persistent lines only. The network trained in all spectral lines is found to be superior in analyzing the spectrum even in a noisy environment. 相似文献
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Banerjee AK Kiran K Murty US Venkateswarlu Ch 《Computational Biology and Chemistry》2008,32(6):442-447
An artificial neural network method is presented for classification and identification of Anopheles mosquito species based on the internal transcribed spacer2 (ITS2) data of ribosomal DNA string. The method is implemented in two different multi-layered feed-forward neural network model forms, namely, multi-input single-output neural network (MISONN) and multi-input multi-output neural network (MIMONN). A number of data sequences in varying sizes of different Anopheline malarial vectors and their corresponding species coding are employed to develop the neural network models. The classification efficiency of the network models for untrained data sequences is evaluated in terms of quantitative performance criteria. The results demonstrate the efficiency of the neural network models to extract the genetic information in ITS2 sequences and to adapt to new data. The method of MISONN is found to exhibit superior performance over MIMONN in distinguishing and identification of the mosquito vectors. 相似文献
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Journal of Thermal Analysis and Calorimetry - In this article, the behavior of MHD hybrid nanofluid passing through a stretching sheet is examined. The current consideration also flashes the... 相似文献
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M.L.M. Beckers W.J. Melssen L.M.C. Buydens 《Journal of computer-aided molecular design》1998,12(1):53-61
By means of an error back-propagation artificial neural network, a new method to predict the torsion angles , and from torsion angles , , and for nucleic acid dinucleotides is introduced. To build a model, training sets and test sets of 163 and 81 dinucleotides, respectively, with known crystal structures, were assembled. With 7 hidden units in a three-layered network a model with good predictive ability is constructed. About 70 to 80% of the residuals for predicted torsion angles are smaller than 10 degrees. This means that such a model can be used to construct trial structures for conformational analysis that can be refined further. Moreover, when reasonable estimates for , , and are extracted from COSY experiments, this procedure can easily be extended to predict torsion angles for structures in solution. 相似文献
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Artificial neural networks (ANNs) are proposed for the determination of sulfite and sulfide simultaneously. The method is based on the reaction between Brilliant Green (BG) as a colored reagent and sulfite and/or sulfide in buffered solution (pH 7.0) and monitoring the changes of absorbance at maximum wavelength of 628 nm. Experimental conditions such as pH, reagents concentrations, and temperature were optimized and training the network was performed using principal components (PCs) of the original data. The network architecture (number of input, hidden and output nodes), and some parameters such as learning rate (η) and momentum (α) were also optimized for getting satisfactory results with minimum errors. The measuring range was 0.05-3.6 μg ml−1 for both analytes. The proposed method has been successfully applied to the quantification of the sulfite and sulfide in different water samples. 相似文献
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Moldoveanu Georgiana Madalina Minea Alina Adriana Huminic Gabriela Huminic Angel 《Journal of Thermal Analysis and Calorimetry》2019,137(2):583-592
Journal of Thermal Analysis and Calorimetry - This research deals with experimental studies on thermal conductivity variation of Al2O3 and TiO2 hybrid nanofluids with water as the base fluid. In... 相似文献
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Dou Y Zou T Liu T Qu N Ren Y 《Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy》2007,68(5):1201-1206
Near-infrared (NIR) spectroscopy was used in simultaneous, non-destructive analysis of antipyriine and caffeine citrate tablets. Principal component artificial neural networks (PC-ANNs) were used to construct models for the analytes, using the testing set for external validation. Four pretreated spectra, namely, first-derivative, second-derivative, standard normal variate (SNV) and multiplicative scatter correction (MSC) spectra led to simplified and more robust models than conventional spectra. In PC-ANNs models, the spectra data were analyzed by principal component analysis (PCA) firstly. Then the scores of the principal compounds (PCs) were chosen as input nodes for input layer instead of the spectra data. The artificial neural networks (ANNs) models using the spectra data as input nodes were also established, which were compared with the PC-ANNs models. The result shows the SNV model of PC-ANNs multivariate calibration has the lowest training error and predicting error. The concept of the degree of approximation was introduced and performed as the selective criterion of the optimum network parameters. 相似文献