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Optimizing control by robustly feasible model predictive control and application to drinking water distribution systems
PublicationThe paper considers optimizing Model Predictive Control (MPC) for nonlinear plants with output constraints under uncertainties. Although the MPC technology can handle the constraints in the model by solving constraint model based optimization task, satisfying the plant output constraints under the model uncertainty still remains a challenge. The paper proposes Robustly Feasible MPC (RFMPC), which achieves feasibility of the outputs...
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Analog modelling in qualitative analysis of vibration propagation
PublicationThe theory of dynamic systems is usually used to model the real systems. The models are based on solving ordinary differential equations, partial or difference, which enable obtaining the relation between input signal and the system response (output signal). The analogy between those models and generalized dynamic systems or control systems can be practically used. Vibration propagation can be described in a similar way as the...
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The significance of the properties of water for the working cycle of the kinesin molecular motor
PublicationExplicit solvent molecular dynamics simulations were performed in this study to investigate and discuss several aspects of the influence of the properties of water on the working cycle of a molecular motor from the kinesin superfamily. The main objects of attention were: the binding of the neck linker and the association of the kinesin and the tubulin. The docking of the neck linker is considered a crucial event during the working...
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Simulating coherent light propagation in a random scattering materials using the perturbation expansion
PublicationMultiple scattering of a coherent light plays important role in the optical metrology. Probably the most important phenomenon caused by multiple scattering are the speckle patterns present in every optical imaging method based on coherent or partially coherent light illumination. In many cases the speckle patterns are considered as an undesired noise. However, they were found useful in various subsurface imaging methods such as...
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DETERMINATION OF SURFACTANTS IN ENVIRONMENTAL SAMPLES. PART II. ANIONIC COMPOUNDS
PublicationSurfactants (SAA) with negative charge of polar group are named as anionic compounds. They are main constituent of most products containing synthetic surfactants. The linear alkylbenzene sulfonates (LAS), alkyl ethoxysulfates (AES) and alkyl sulfates (AS) are typically applied from this class of compounds. Those surfactants are ingredients of household detergents and cleaners, laundry detergents, cosmetic. Moreover they can be...
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How green are ionic liquids? – A multicriteria decision analysis approach
PublicationDue to various desirable physicochemical properties, ionic liquids (ILs) are still gaining in popularity. ILs have been recurrently considered green solvents. However, environmental, health and safety assessments of ILs have raised certain doubts about their benignness, and their greenness status is currently unclear. To clarify the situation on their greenness, we perform a comprehensive assessment of more than 300 commercially...
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Ultrasound assisted dispersive solid phase microextraction using polystyrene-polyoleic acid graft copolymer for determination of Sb(III) in various bottled beverages by HGAAS
PublicationA new polyoleic acid-polystyrene (PoleS) block/graft copolymer was synthesized and applied as adsorbent for ultrasound assisted dispersive solid phase microextraction (UA-DSPME) of Sb(III) in different bottled beverages and analysis using hydride generation atomic absorption spectrometry (HGAAS). Adsorption capacity of the PoleS was 150 mg g−1. Several sample preparation parameters such as sorbent amount, solvent type, pH, sample...
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Saint-Venant torsion based on strain gradient theory
PublicationIn this study, the Saint-Venant torsion problem based on strain gradient theory is developed. A total form of Mindlin's strain gradient theory is used to acquire a general Saint-Venant torsion problem of micro-bars formulation. A new Finite Element formulation based on strain gradient elasticity theory is presented to solve the Saint-Venant torsion problem of micro-bars. Moreover, the problem is solved for both micro and macro...
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Challenges in determination of pesticides from various chemical groups in fruits and vegetables applying QuEChERS method
PublicationPesticides are a large group of compounds with different physical and chemical properties, which place some of them among the most toxic, environmentally stable, and mobile substances. Nevertheless, their number, use, and application are continuously expanding. A consequence of their use is the possible presence of residues in treated food products. To protect consumers from exposure to unacceptable levels of pesticides Maximum...
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Ionic liquids-based microextraction techniques
PublicationIn recent years, the development of highly efficient analytical techniques is of great importance, however, the direct analysis of complex sample matrix is still impossible in many cases. Therefore, the step of sample preparation is commonly involved in an analytical procedure. Over the years, it has been realized that the major source of inaccuracy and imprecision on general analysis results from the operations associated to sample...
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Active Kriging-based conjugate first-order reliability method for highly efficient structural reliability analysis using resample strategy
PublicationEfficient structural reliability analysis method is crucial to solving reliability analysis of complex structural problems. High-computational cost and low-failure probability problems greatly limit the efficiency in structural reliability analysis problems, causing the safety and reliability of the structure to be questioned. In this work, a highly efficient structural reliability analysis method coupling active Kriging algorithm...
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Photophysics of Soret-Excited Tin(IV) Porphyrins in Solution
PublicationThe photophysics of low-chlorin tin(IV) tetraphenylporphyrin dihydroxide, a core building block for axially substituted supramolecular tin porphyrin constructs, has been studied in a variety of hydrogen-bonding, nonpolar, and aprotic polar solvents using steady-state, nanosecond, and femtosecond time-resolved emission, and femtosecond time-resolved absorption methods. In hydrogen-bonding solvents the metalloporphyrin exists as...
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Size Exclusion Coupled to Reversed Phase Liquid Chromatography for the Characterization of Cranberry Products
PublicationA combination of solvent extraction, size exclusion purification, and reversed-phase liquid chromatography with UV absorption and fluorescence detection was here used for the determination of flavan-3-ols and related oligomeric compounds in cranberry products. The method relied on robust, simple, and inexpensive instrumental equipment present in most of routine analytical laboratories. Sample extracts in methanol/water/hydrochloric...
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Evaluation of the Greenness of Analytical Procedures
PublicationThis contributions introduces the need to develop the methods to evaluate analytical procedures in the light of green analytical chemistry. Green chemistry metrics are not applicable in analytical chemistry because they refer to the mass of product and no product with mass is generated during analytical determination. Analytical greenness evaluations are based on scoring - such as NEMI or Eco-scale or comparative analysis as it...
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Topology recognition and leader election in colored networks
PublicationTopology recognition and leader election are fundamental tasks in distributed computing in networks. The first of them requires each node to find a labeled isomorphic copy of the network, while the result of the second one consists in a single node adopting the label 1 (leader), with all other nodes adopting the label 0 and learning a path to the leader. We consider both these problems in networks whose nodes are equipped with...
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Preliminary designing method of external pressure vessels for sea subsurface aplications
PublicationThis paper describes a unique engineering method intended for the preliminary designing of marine subsurface buoy mooring systems. The solved designing problem consists in determining geometrical parameters and selecting structural materials for a vessel of a buoyancy necessary to contain measuring instruments of a given mass, as well as its maximum dimensions and operational submersion depth. The assumed variability range of...
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Constructing a map of an anonymous graph: applications of universal sequences
PublicationWe study the problem of mapping an unknown environmentrepresented as an unlabelled undirected graph. A robot (or automaton)starting at a single vertex of the graph G has to traverse the graph and return to its starting point building a map of the graph in the process. We are interested in the cost of achieving this task (whenever possible) in terms of the number of edge traversal made by the robot. Another optimization criteria...
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Magnetic superhydrophobic melamine sponges for crude oil removal from water
PublicationThis paper proposes the preparation of a new sorbent material based on melamine sponges (MS) with superhydrophobic, superoleophilic, and magnetic properties. This study involved impregnating the surface of commercially available MS with eco-friendly deep eutectic solvents (DES) and Fe3O4 nanoparticles. The DES selection was based on the screening of 105 eutectic mixtures using COSMO-RS modeling. Other parameters affecting the efficiency...
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Troubleshooting of the determination of bisphenol A at ultra-trace levels by liquid chromatography and tandem mass spectrometry
PublicationDetermination of trace amounts of bisphenol A (BPA) may cause problems mainly related to the presence of BPA in solvents (even in LC-MS grade), laboratory vessels, and plastic equipment used for sample preparation. Variable and sometimes significant amounts of BPA present in the background cause problems in obtaining good repeatability of measurements at the ultra-trace levels. Such observations (i.e., poor repeatability of results)...
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Rapid method for the determination of organochlorine pesticides and PCBs in fish muscle samples by microwave-assisted extraction and analysis of extracts by GC-ECD
PublicationA procedure for the multiresidue determination of organochlorine pesticides and polychlorinated biphenyls in fish muscle samples has been developed. The method is based on the microwave-assisted extraction (MAE) of food samples from an acetonitrile-water (95 + 5, v/v) mixture followed by SPE cleanup of the extracts and analysis by GC with an electron capture detector. MAE operational parameters, such as the extraction solvent,...
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Chemical structures, rheological and physical properties of biopolyols prepared via solvothermal liquefaction of Enteromorpha and Zostera marina biomass
PublicationIn this work, liquefied biomass from the Baltic Sea was used for the preparation of rigid polyurethane (PUR) foams. The biomass contained 10 wt% of Enteromorpha macroalgae and 90 wt% of Zostera marina seagrass characterized by a high content of cellulose. The influence of time, temperature and the type of solvent on the efficiency of the liquefaction process and properties of biopolyols was determined. Obtained materials were analyzed...
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Application of dispersive liquid - liquid microextraction for determination of pesticides from various chemical groups in water samples
PublicationPesticides are a global risk because they move with the wind, rain and sea currents from other regions, which makes getting to places which were never used before. Their presence was detected in all types of water circulating in the ecosystem, which is an easy source of exposure to life and health of all living organisms. Currently, it is considered one of the most dangerous and toxic pollutants, which fate and function is still...
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Performance of the AMOEBA Water Model in the Vicinity of QM Solutes: A Diagnosis Using Energy Decomposition Analysis
PublicationThe importance of incorporating solvent polarization effects into the modeling of solvation processes has been well-recognized, and therefore a new generation of hybrid quantum mechanics/molecular mechanics (QM/MM) approaches that accounts for this effect is desirable. We present a fully self-consistent, mutually polarizable QM/MM scheme using the AMOEBA force field, in which the total energy of the system is variationally minimized...
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Optimization of Data Assignment for Parallel Processing in a Hybrid Heterogeneous Environment Using Integer Linear Programming
PublicationIn the paper we investigate a practical approach to application of integer linear programming for optimization of data assignment to compute units in a multi-level heterogeneous environment with various compute devices, including CPUs, GPUs and Intel Xeon Phis. The model considers an application that processes a large number of data chunks in parallel on various compute units and takes into account computations, communication including...
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Hybrid cross-linked chitosan/protonated-proline:glucose DES membranes with superior pervaporation performance for ethanol dehydration
PublicationThis work explores a protonated L-proline:glucose (molar ratio 5:1) deep eutectic solvent (DES) in fabricating biopolymer membranes utilizing chitosan (CS). Initially, the miscibility of CS and DES to prepare homogeneous dense blend membranes has been investigated. Different techniques, such as scanning electron microscopy, contact angle (CA), atomic force microscopy (AFM), Fourier transformed infrared spectroscopy (FTIR) and swelling...
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A procedure for the determination of dichloromethane and tetrachloroethene in water using pervaporation and gas chromatography
PublicationIn the present study, pervaporation was applied to the determination of tetrachloroethene (PCE) and dichloromethane (DCM) in liquid samples. PCE is the most commonly used solvent in dry-cleaning processes. PCE belongs to group 2A of carcinogens (probably carcinogenic to humans) according to the classification of the International Agency for Research on Cancer (IARC). DCM is also widely used as an industrial solvent for the purification...
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Rozprzestrzenianie się w podtorzu skutków katastrof kolejowych z udziałem materiałów niebezpiecznych
PublicationDuża część przewozów materiałów niebezpiecznych prowadzona jest koleją. W związku z tym bezpieczeństwo tych przewozów nabiera coraz większego znaczenia. Każda katastrofa z udziałem materiałów niebezpiecznych ma negatywny wpływ na uczestników tego zdarzenia oraz na otaczające środowisko, bowiem jej zasięg na ogół nie jest lokalny. Z tego wynika, że w przypadku zaistnienia katastrofy należy minimalizować jej skutki oraz w dalszych...
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The thermal effort during marine steam turbine flooding with water
PublicationThe work discussed an extreme case of cooling a steam turbine. The ship's steam turbine was used as an example. In marine transport units with low-speed engines dominate, however, there are also units with steam turbines. An example of analysed marine steam turbine is shown in Fig. 1. When considering the issue of cooling steam turbines, it is necessary to estimate the extreme conditions that may occur during operation of the turbine....
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Comparative Study of Integer and Non-Integer Order Models of Synchronous Generator
PublicationThis article presents a comparison between integer and non-integer order modelling of a synchronous generator, in the frequency domain as well as in the time domain. The classical integer order model was compared to one containing half -order systems. The half-order systems are represented in a Park d-q axis equivalent circuit as impedances modelled by half-order transmittances. Using a direct method based on the approximation...
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Chemical treatment of crystalline silicon solar cells as a main stage of pv modules recycling = Obróbka chemiczna krzemowych ogniw słonecznych jako najważniejszy etap w recyklingu modułów fotowoltaicznych
PublicationIn recent years, photovoltaic systems have gained worldwide recognition and popularity as a environmentally friendly way of solving energetic problems. However, a problem of utilizing worn out photovoltaic systems, amount of which will rapidly increase in the future, is yet to be solved. Establishing a technology of recycling and reusing obsolete photovoltaic panels is a necessity.Photovoltaic modules in crystalline silicon solar...
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Monitoring of breast tissue thermo-ablation by means of impedance measurements
PublicationW pracy przedstawiono rozważania dotyczące monitorowania jakości termoablacji zmian nowotworowych w piersi przy pomocy pomiarów impedancyjnych. Pokazano prototypowe konstrukcje sond do termoablacji jak również zaprezentowano wyniki symulacji i pierwszych eksperymentów. A usefulness of a developed probe combining power delivery to ablated breast tumour and simultaneous impedance measurements is discussed in the paper. It consists...
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The preparation and evaluation of core-shell magnetic dummy-template molecularly imprinted polymers for preliminary recognition of the low-mass polybrominated diphenyl ethers from aqueous solutions
PublicationThe design, preparation process, binding abilities, morphological characteristic and prospective field of application of dummy-template magnetic molecularly imprinted polymer (DMMIP) for preliminary recognition of the selected low-mass polybrominated diphenyl ethers (PBDE-47 and PBDE-99) from aquatic environment were investigated. The surface of iron oxide (Fe3O4) nanopowder (50-100 nm particles size) was modified with tetraethoxysilane...
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Density functional theory calculations on entire proteins for free energies of binding: Application to a model polar binding site
PublicationIn drug optimization calculations, the molecular mechanics Poisson-Boltzmann surface area (MM-PBSA) method can be used to compute free energies of binding of ligands to proteins. The method involves the evaluation of the energy of configurations in an implicit solvent model. One source of errors is the force field used, which can potentially lead to large errors due to the restrictions in accuracy imposed by its empirical nature....
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Unusual Influence of Fluorinated Anions on the Stretching Vibrations of Liquid Water
PublicationInfrared (IR) spectroscopy is a commonly used and invaluable tool in the studies of solvation phenomena in aqueous solutions. Concurrently, ab initio molecular dynamics (AIMD) simulations deliver the solvation shell picture at a molecular detail level and allow for a consistent decomposition of the theoretical IR spectrum into underlying spatial correlations. Here, we demonstrate how the novel spectral decomposition techniques...
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Molecular basis of the osmolyte effect on protein stability: a lesson from the mechanical unfolding of lysozyme
PublicationOsmolytes are a class of small organic molecules that shift the protein folding equilibrium. For this reason, they are accumulated by organisms under environmental stress, and find applications in biotechnology where proteins need to be stabilized or dissolved. However, despite years of research, debate continues over the exact mechanisms underpinning the stabilizing and denaturing effect of osmolytes. Here, we simulated the mechanical...
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Sensor Position Estimation Method for IoT Using Mobile Reference Node
PublicationThe paper proposes an innovative method of locating objects for the Internet of Things (IoT). The proposed method allows the position of a fixed measuring sensor (MS) to be estimated using one mobile base station with a known position moving around the MS. The mathematical analysis of the method, and three algorithms — Newton’s (NA), gradient descent (GD) and genetic (GA) — for solving the system of non-linear positional equations...
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Design thinking (DT) for the design and planning education of engineer-architects
PublicationEngineers are facing new challenges connected with globalisation, digitisation and the increased complexity of the design process. This calls for new, more interdisciplinary and user-oriented approaches to problem- solving. In this article, the authors analyse design thinking (DT) as a method to support the education of engineers specialising in architecture and urban planning. Identified in this study are the opportunities this...
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Cognitum Ontorion: Knowledge Representation and Reasoning System
Publication“If knowledge can create problems, it is not through ignorance that we can solve them.” (Isaac Asimov). Nevertheless, at any point of human activity, knowledge (besides practice) is a key factor in understanding and solving any given problem. Nowadays, computer systems have the ability to support their users in an efficient and reliable way. In this paper we present and describe the functionality of the Cognitum Ontorion system....
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Chemical Theory of Machines, basic principles of strength with examples of calculations
PublicationThis book encompasses the essential range of information on technical aspects of mechanical design. It was written primarily for the students and staff of chemistry faculties of technical universities, yet it may also be utilized by everyone, who ether would like to try or already enjoys designing, but cannot take advantage of typical stress & machine construction handbooks. These handbooks often require familiarity with the concepts...
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CLICK 'n' Sleep: Light-Switch Behavior of Triazole-Containing Tris(bipyridyl)ruthenium Complexes
PublicationA set of RuII complexes incorporating triazole subunits are presented. They show a solvent-dependent light-switch effect. Theoretical calculations revealed the excited states involved in the emission process. The findings are highly important for future design of light-switch sensors and suggest a severe restriction for functional photomolecular devices synthesized by CLICK chemistry.
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On modelling and non-linear elasto-plastic analysis of thin shells with deformable junctions
PublicationThe undeformed base surface of the irregular thin shell is modelled by the union of a finite number of regular smooth surface elements joined together along spatial curvilinear surface edges. The equilibrium conditions are formulated by postulating an appropriate form of the principle of virtual work, where also deformability of shell junctions is taken into account. The PVW is then discretised by C1 finite elements and the incremental-iterative...
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Evaluation of Green Sample Preparation Techniques for Organic Compounds
PublicationNowadays, Green Analytical Chemistry (GAC) idea is of high importance, with impact on the rapid growth in the sample preparation area with special emphasis on sample preparation simplification, miniaturization and automation. Due to the fact that GAC is of high importance today, this study is focused on the evaluation of green sample preparation techniques for organic compounds. It is well known that sample preparation is considered...
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<i>N,N</i>'-diphenylthiourea acetone monosolvate
PublicationIn the title compound, C13H12N2S·C3H6O, the phenyl rings of the thiourea molecule are in syn and anti positions in relation to the C=S bond. Two molecules are connected by N-HS=C hydrogen bonds into a centrosymmetric dimer. An additional N-HO=C hydrogen bond to the acetone solvent molecule and some weak C-H interactions reinforce the crystal structure.
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A review on homogeneous and heterogeneous catalytic microalgal lipid extraction and transesterification for biofuel production
PublicationExtracting lipids from microalgal biomass presents significant potential as a cost-effective approach for clean energy generation. This can be achieved through the chemical conversion of lipids to produce fatty acid methyl esters via transesterification. The extraction mainly involves free fatty acids, phospholipids, and triglycerides, and requires less energy, making it an attractive option for satisfying the growing demand for...
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Solvation of ionic liquids based on N-alkyl-N-methylmorpholinium cations in N,N-dimethylformamide and dimethyl sulfoxide – A volumetric and acoustic study
PublicationApparent molar volumes and molar isentropic compressibilities for N-ethyl-N-methylmorpholinium and N-decyl-N-methylmorpholinium tetrafluoroborates in N,N-dimethylformamide (DMF) and dimethyl sulfoxide (DMSO) have been determined from density and speed of sound measurements over the temperature range T = (298.15, 303.15, 308.15, 313.15, 318.15 and 328.15) K at experimental pressure p = 0.1 MPa. This data has been used to calculate...
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Anharmonic Infrared Spectroscopy through the Fourier Transform of Time Correlation Function Formalism in ONETEP
PublicationDensity functional theory molecular dynamics (DFT-MD) provides an efficient framework for accurately computing several types of spectra. The major benefit of DFTMD approaches lies in the ability to naturally take into account the effects of temperature and anharmonicity, without having to introduce any ad hoc or a posteriori corrections. Consequently, computational spectroscopy based on DFT-MD approaches plays a pivotal role in...
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Improving carbon dioxide capture in aqueous ammonia solutions by fine SiO2 particles
PublicationAmmonia solutions are considered to be effective solvents for carbon dioxide absorption. Despite the numerous advantages of these solvents, their high volatility is a significant technical and economic problem. Therefore, in this work, silica particles were used as additives to improve CO2 absorption and inhibit NH3 desorption. SiO2 microparticles and colloidal SiO2 particles in the concentration range of 0-0.15 wt.% were used...
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Problemy planowania strategii i zagospodarowania przestrzennego w zarządzaniu rozwojem obszarów metropolitalnych
PublicationCelem pracy jest rozpoznanie i usystematyzowanie problemów związanych z planowaniem kompleksowej strategii zarządzania rozwojem obszarów metropolitalnych i sporządzaniem planu zagospodarowania przestrzennego tych obszarów. Problemy planowania rozumiane są jako trudności, dylematy i wątpliwości związane z różnymi aspektami procesu planistycznego. Autor nawiązuje do cech obszarów metropolitalnych oraz typowych problemów rozwiązywanych...
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Application of genetic algorithms in graph searching problem
PublicationGraph searching is a common approach to solving a problem of capturing a hostile intruder by a group of mobile agents. We assume that this task is performed in environment which we are able to model as a graph G. The question asked is how many agents are needed to capture an arbitrary fast, invisible and smart intruder. This number is called the (edge) search number of G. The strategy which must be performed by agents is called...
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Statistics with R A Handbook for Statistical Analysis with R and R-Studio
PublicationIf you are to perform any kind of data (statistical) analysis and use tools in the data science ecosystem, you may have seen a variety of tutorials, handbooks online (I’m not mentioning traditional bibles of statistics). Unfortunately most of them is written intentionally for specific purposes and/or target group of people and does not include many aspects, data types, difficult aspects, usually hiding them trying to solve theoretical...