Search results for "Chemical engineering"

Application of optimized artificial intelligence algorithm to evaluate the heating energy demand of non-residential buildings at European level

2019

Abstract A reliable preliminary forecast of heating energy demand of a building by using a detailed dynamic simulation software typically requires an in-depth knowledge of the thermal balance, several input data and a very skilled user. The authors will describe how to use Artificial Neural Networks to predict the demand for thermal energy linked to the winter climatization of non-residential buildings. To train the neural network it was necessary to develop an accurate energy database that represents the basis of the training of a specific Artificial Neural Networks. Data came from detailed dynamic simulations performed in the TRNSYS environment. The models were built according to the stan…

Neural Networks with Multidimensional Cross-Entropy Loss Functions

2019

Deep neural networks have emerged as an effective machine learning tool successfully applied for many tasks, such as misinformation detection, natural language processing, image recognition, machine translation, etc. Neural networks are often applied to binary or multi-class classification problems. In these settings, cross-entropy is used as a loss function for neural network training. In this short note, we propose an extension of the concept of cross-entropy, referred to as multidimensional cross-entropy, and its application as a loss function for classification using neural networks. The presented computational experiments on a benchmark dataset suggest that the proposed approaches may …

Prediction and qualitative analysis of sensory perceptions over temporal vectors using combination of artificial neural networks and fuzzy logic: Val…

2020

Testing selected optimal descriptors with artificial neural networks

2013

Eleven properties have been modeled with the objective of checking the importance for model purposes of mixed descriptors made of empirical parameters, molecular connectivity indices and random numbers. The mixed descriptors with random indices have a descriptive character which is satisfactorily confirmed by the leave-one-out method of statistical analysis. The introduction of a partition of the set of compounds into training and evaluation sets decreases drastically the probability to find a mixed descriptor with random indices with good model quality. Two properties, the magnetic susceptibility and the elutropic values, insist on having optimal descriptors with random indices. The overal…

Reappraising the appropriate calculation of a common meteorological quantity: Potential Temperature

2020

Abstract. The potential temperature is a widely used quantity in atmospheric science since it is conserved for dry air's adiabatic changes of state. Its definition involves the specific heat capacity of dry air, which is traditionally assumed as constant. However, the literature provides different values of this allegedly constant parameter, which are reviewed and discussed in this study. Furthermore, we derive the potential temperature for a temperature-dependent parameterisation of the specific heat capacity of dry air, thus providing a new reference potential temperature with a more rigorous basis. This new reference shows different values and vertical gradients, in particular in the str…

2011

Abstract. The ability of coated mineral dust particles to act as ice nuclei (IN) was investigated at LACIS (Leipzig Aerosol Cloud Interaction Simulator) during the FROST1- and FROST2-campaigns (Freezing of dust). Sulphuric acid was condensed on the particles which afterwards were optionally humidified, treated with ammonia vapour and/or heat. By means of aerosol mass spectrometry we found evidence that processing of mineral dust particles with sulphuric acid leads to surface modifications of the particles. These surface modifications are most likely responsible for the observed reduction of the IN activation of the particles. The observed particle mass spectra suggest that different treatme…

Irreversible loss of ice nucleation active sites in mineral dust particles caused by sulphuric acid condensation

2010

Abstract. During the FROST-2 (FReezing Of duST) measurement campaign conducted at the Leipzig Aerosol Cloud Interaction Simulator (LACIS), we investigated changes in the ice nucleation properties of 300 nm Arizona Test Dust mineral particles following thermochemical processing by varying amounts and combinations of exposure to sulphuric acid vapour, ammonia gas, water vapour, and heat. The processed particles' heterogeneous ice nucleation properties were determined in both the water subsaturated and supersaturated humidity regimes at −30 °C and −25 °C using Colorado State University's continuous flow diffusion chamber. The amount of sulphuric acid coating material was estimated by an aeroso…

Density, Viscosity, and Sound Speed of Bis(trifluoromethylsulfonyl)imide-Based Ionic Liquids + 1-Propanol Mixtures

2015

The density, viscosity, and speed of sound of three mixtures formed by 1-propanol and an ionic liquid were measured in a temperature range of 278.15–338.15 K. All measurements were made at atmospheric pressure and covered the entire range of miscible compositions. The three ionic liquids have the same anion but differ in the cation: 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide, [emim][NTf2], 1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide, [bmim][NTf2], and 1-hexyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide, [hmim][NTf2]. The experimental data allowed calculate the molar volume and isentropic compressibility of the mixture and their respective exces…

Atomic layer deposition of polyimide thin films

2007

The atomic layer deposition (ALD) of different polyimide thin films has been studied. We have demonstrated self-limiting ALD deposition of PMDA–DAH, PMDA–EDA, PMDA–ODA and PMDA–PDA thin films at 160 °C. The maximum deposition rate of 5.8 A cycle−1 was obtained for the PMDA–DAH process. Although the deposition rate was high at 160 °C, a sudden decrease was observed when the temperature was increased. Regardless of the process studied, no film growth was obtained at 200 °C or above. Deposited polyimide films were analysed by FTIR, AFM and TOF-ERDA. According to the FTIR measurements, imide bonds were formed already in as-deposited films indicating polyimide formation without any additional th…

SVET, AFM and AES study of pitting corrosion initiated on MnS inclusions by microinjection

2003

As pitting is a random phenomenon, it is difficult to predict where a pit will appear on the surface and consequently the use of local probes is rendered difficult. In this work, a new method to study pitting corrosion on a MnS inclusion on 316L stainless steel is proposed. It consists in modifying locally the chemistry in its vicinity by injecting with a microcapillary an aggressive solution of NaCl, H2SO4 or HCl. Once a pit appears, scanning vibrating electrode technique (SVET) is used to follow the current fluctuations over and around the pit when the metal is polarized at a passive potential. In another series of experiments the effect of local activation of MnS inclusion was studied ex…