Browse
Keywords
Records with Keyword: Modelling
151. LAPSE:2023.27996
Efficient Integration of Machine Learning into District Heating Predictive Models
April 11, 2023 (v1)
Subject: Modelling and Simulations
Keywords: district heating, dynamics, Machine Learning, Modelling, Optimization, pipes, smart systems
Modern control strategies for district-level heating and cooling supply systems pose a difficult challenge. In order to integrate a wide range of hot and cold sources, these new systems will rely heavily on accumulation and much lower operating temperatures. This means that predictive models advising the control strategy must take into account long-lasting thermal effects but must not be computationally too expensive, because the control would not be possible in practice. This paper presents a simple but powerful systematic approach to reducing the complexity of individual components of such models. It makes it possible to combine human engineering intuition with machine learning and arrive at comprehensive and accurate models. As an example, a simple steady-state heat loss of buried pipes is extended with dynamics observed in a much more complex model. The results show that the process converges quickly toward reasonable solutions. The new auto-generated model performs 5 × 104 times f... [more]
152. LAPSE:2023.27762
Numerical and Experimental Analysis of Heat Transfer for Solid Fuels Combustion in Fixed Bed Conditions
April 4, 2023 (v1)
Subject: Modelling and Simulations
Keywords: combustion, Computational Fluid Dynamics, experimental analysis, fixed bed, heat load, heat transfer, Modelling, solid fuels
The paper concerns the analysis of the heat transfer process that occurred during solid fuel burning in fixed bed conditions. The subject of the analysis is a cylindrical combustion chamber with an output of 12 kW heating power equipped with a retort burner for hard coal and biomass combustion. During the research, a numerical and experimental study is performed. The analysis is prepared for various heat load of the combustion chamber, which allowed for the reconstruction of real working conditions for heating devices working with solid fuels combustion. The temperature distribution obtained by the experimental way is compared with results of the numerical modeling. Local distribution of principal heat transfer magnitudes like a heat flux density and a heat transfer coefficient that occurred on the sidewall of the combustion chamber is analyzed. The analysis showed, that the participation of convection and radiation in the overall heat transfer process has resulted from the heat load o... [more]
153. LAPSE:2023.27729
Conjugated Numerical Approach for Modelling DBHE in High Geothermal Gradient Environments
April 4, 2023 (v1)
Subject: Modelling and Simulations
Keywords: deep wellbore heat exchanger, geothermal energy CFD, Modelling
Geothermal is a renewable energy source that can be untapped through various subsurface technologies. Closed geothermal well solutions, such as deep geothermal heat exchangers (DBHEs), consist of circulating a working fluid to recover the available heat, with less dependency on the local geological settings than conventional geothermal systems. This paper emphasizes a double numerical method to strengthen the assessment of DBHE performances. A computational fluid dynamics (CFD) commercial software and the 1D coupled wellbore-reservoir geothermal simulator T2Well have been used to investigate the heat transfer and fluid flow in a vertical DBHE in high geothermal gradient environments. The use of constant water properties to investigate the energy produced from DBHEs can lead to underestimating the overall heat transfer at high temperature and low mass flow rate. 2D axisymmetric CFD modelling improves the understanding of the return flow at the bottom of the DBHE, readjusting and better... [more]
154. LAPSE:2023.27449
Modeling of Working Machines Synergy in the Process of the Hybrid Electric Vehicle Acceleration
April 4, 2023 (v1)
Subject: Energy Systems
Keywords: acceleration, engine, generator, hybrid electric vehicle, Modelling, motor
There are many different mathematical models that can be used to describe relations between energy machines in the power-split hybrid drive system. Usually, they are created based on simulations or measurements in bench (laboratory) conditions. In that sense, however, these are the idealized conditions. It is not known how the internal combustion engine and electrical machines work in real road conditions, especially during acceleration. This motivated the authors to set the goal of solving this research problem. The solution was to implement and develop the model predictive control (MPC) method for driving modes (electric, normal) of a hybrid electric vehicle equipped with a power-split drive system. According to the adopted mathematical model, after determining the type of model and its structure, the measurements were performed. There were carried out as road tests in two driving modes of the hybrid electric vehicle: electric and normal. The measurements focused on the internal comb... [more]
155. LAPSE:2023.27299
Biomass to Syngas: Modified Non-Stoichiometric Thermodynamic Models for the Downdraft Biomass Gasification
April 4, 2023 (v1)
Subject: Energy Systems
Keywords: biomass gasification, Modelling, non-stoichiometric, Optimization, thermodynamics
Biomass gasification is the most reliable thermochemical conversion technology for the conversion of biomass into gaseous fuels such as H2, CO, and CH4. The performance of a gasification process can be estimated using thermodynamic equilibrium models. This type of model generally assumes the system reaches equilibrium, while in reality the system may only approach equilibrium leading to some errors between experimental and model results. In this study non-stoichiometric equilibrium models are modified and improved with correction factors inserted into the design equations so that when the Gibbs free energy is minimized model predictions will more closely match experimental values. The equilibrium models are implemented in MatLab and optimized based on experimental values from the literature using the optimization toolbox. The modified non-stoichiometric models are shown to be more accurate than unmodified models based on the calculated root mean square error values. These models can be... [more]
156. LAPSE:2023.27297
Energy and Exergy Analysis of Low-Global Warming Potential Refrigerants as Replacement for R410A in Two-Speed Heat Pumps for Cold Climates
April 4, 2023 (v1)
Subject: Modelling and Simulations
Heat pumps (HPs) are being developed with a new emphasis on cold climates. To lower the environmental impact of greenhouse gas (GHG) emissions, alternate low global warming potential (GWP) refrigerants must also replace the exclusive use of the refrigerant R410A, preferably without re-engineering the mechanical hardware. In this paper, we analyze the performance of four low-GWP alternative refrigerants (R32, R452B, R454B, and R466A) relative to the conventional R410A and draw conclusions on the relative performances for providing heating in cold climates based on the Air-Conditioning, Heating, and Refrigeration Institute (AHRI) 210/240 standard for two-speed heat pumps. The simulations are carried using the Department of Energy, Oak Ridge National Laboratory (DOE/ORNL) Heat Pump Design Model (HPDM), a well-known heating, ventilation, and air conditioning (HVAC) modeling and design tool in the public domain and the HVAC research and development community. The results of the simulation a... [more]
157. LAPSE:2023.27243
Sensitivity Based Order Reduction of a Chemical Membrane Degradation Model for Low-Temperature Proton Exchange Membrane Fuel Cells
April 4, 2023 (v1)
Subject: Modelling and Simulations
Keywords: chemical membrane degradation, fuel cell, Modelling, PEMFC, perfluorinated sulfonic acid membrane, reactive oxygen species, sensitivity analysis
The chemical degradation of the perfluorinated sulfonic acid (PFSA) ion-exchange membrane as a result of an attack from a radical species, originating as a by-product of the oxygen reduction reaction, represents a significant limiting factor in a wider adoption of low-temperature proton exchange membrane fuel cells (LT-PEMFCs). The efficient mathematical modeling of these processes is therefore a crucial step in the further development of proton exchange membrane fuel cells. Starting with an extensive kinetic modeling framework, describing the whole range of chemical processes leading to the membrane degradation, we use the mathematical method of sensitivity analysis to systematically reduce the number of both chemical species and reactions needed to efficiently and accurately describe the chemical degradation of the membrane. The analysis suggests the elimination of chemical reactions among the radical species, which is supported by the physicochemical consideration of the modeled rea... [more]
158. LAPSE:2023.27094
Numerical Simulation for Void Coalescence (Water Treeing) in XLPE Insulation of Submarine Composite Power Cables
April 3, 2023 (v1)
Subject: Modelling and Simulations
Keywords: composites, insulators, Modelling, offshore wind energy, power cables, water trees
Due to the growing demand for offshore renewable energy, the development of durable submarine power cables is critical. Submarine power cables are expected to have a service life of over 20 years. However, it has been shown that these cables suffer from water-tree flaws that progressively extend to conductors and corrode copper, which may lead to premature failure. Water treeing is caused by the of interconnection of voids (of a few nanometers) that are present in the insulator after manufacturing or formed during operation. The economic consequences of a breakdown can be drastic due to the heavy maintenance required. In the current study, the insulator is modelled as cubic unit cells containing water voids in the form of ellipsoids. The displacement field of ellipsoids is found to be dependent on its distribution in the cubic cell and on the applied electric field. Von Mises stress and effective plastic strain at the tips of the ellipsoid are found to be significant when either the re... [more]
159. LAPSE:2023.27008
Biomass to Syngas: Modified Stoichiometric Thermodynamic Models for Downdraft Biomass Gasification
April 3, 2023 (v1)
Subject: Energy Systems
Keywords: biomass gasification, methanation reaction, Modelling, Optimization, stoichiometric, thermodynamics, water gas shift reactions
To help meet the global demand for energy and reduce the use of fossil fuels, alternatives such as the production of syngas from renewable biomass can be considered. This conversion of biomass to syngas is possible through a thermochemical gasification process. To design such gasification systems, model equations can be formulated and solved to predict the quantity and quality of the syngas produced with different operating conditions (temperature, the flow rate of an oxidizing agent, etc.) and with different types of biomass (wood, grass, seeds, food waste, etc.). For the comparison of multiple different types of biomass and optimization to find optimal conditions, simpler models are preferred which can be solved very quickly using modern desktop computers. In this study, a number of different stoichiometric thermodynamic models are compared to determine which are the most appropriate. To correct some of the errors associated with thermodynamic models, correction factors are utilized... [more]
160. LAPSE:2023.26816
Combustion Modeling and Simulation of Recycled Anode-off-Gas from Solid Oxide Fuel Cell
April 3, 2023 (v1)
Subject: Modelling and Simulations
Keywords: ANSYS Fluent, combustion, Computational Fluid Dynamics, fuel cell, Modelling, SOFC
A solid oxide fuel cell (SOFC) is popular amongst other fuel cell technologies due to fuel flexibility, low cost, and stability. Because of difficulties involved in the handling of hydrogen, onsite hydrogen production is considered for many small- and large-scale applications. It involves an integrated setup consisting of a reformer, combustor, and fuel cell stack. Being operated at high temperature, gases leaving SOFC contain a significant amount of thermal energy which can be utilized within the integrated reforming process. In addition, anode-off-gas (AOG) from SOFC contains unreacted hydrogen which can be utilized as fuel in an integrated combustor thereby increasing combustor efficiency. For effective integration of a combustor, reformer, and power generator, modeling and simulation is of great utility. In the present work, a 3D model of an integrated combustor unit is developed and implemented into the computational fluid dynamics (CFD) simulation package ANSYS FLUENT®. Main obje... [more]
161. LAPSE:2023.26726
A Case Study in Qatar for Optimal Energy Management of an Autonomous Electric Vehicle Fast Charging Station with Multiple Renewable Energy and Storage Systems
April 3, 2023 (v1)
Subject: Energy Systems
Keywords: electrical vehicle, fast-charging station, grid-independent, Modelling, Optimization, Simulation
E-Mobility deployment has attained increased interest during recent years in various countries all over the world. This interest has focused mainly on reducing the reliance on fossil fuel-based means of transportation and decreasing the harmful emissions produced from this sector. To secure the electricity required to satisfy Electric Vehicles’ (EVs’) charging needs without expanding or overloading the existing electricity infrastructure, stand-alone charging stations powered by renewable sources are considered as a reasonable solution. This paper investigates the simulation of the optimal energy management of a proposed grid-independent, multi-generation, fast-charging station in the State of Qatar, which comprises hybrid wind, solar and biofuel systems along with ammonia, hydrogen and battery storage units. The study aims to assess the optimal sizing of the solar, wind and biofuel units to be incorporated in the design along with the optimal ammonia, hydrogen and battery storage capa... [more]
162. LAPSE:2023.26721
Modeling of a Quasi-Resonant DC Link Inverter Dedicated to Common-Mode Voltage and Ground Current Reduction
April 3, 2023 (v1)
Subject: Modelling and Simulations
Keywords: AC drive, circuit simulation, common-mode voltage, ground leakage current, Modelling, quasi-resonant DC link inverter, voltage gradient
In this paper, the modeling methodology of the AC drive system with a Parallel Quasi-Resonant DC Link Inverter (PQRDCLI) is described. A presented modeling approach is an attractive tool used for the effective evaluation of a common-mode (CM) voltage and grounds current reduction methods. Designed models of inverter, induction machine (IM), and cable are simple, thus the methods for parameter extraction are not complicated. Verification of the proposed modeling approach was realized with the use of the the Synopsys (Mountain View, CA, USA) SABER simulator, while simulation results were experimentally verified. Operation principles of the proposed PQRDCLI converter topology are also described. Based on simulation and experimental results, it was confirmed that the proposed PQRDCLI solution represents required performance within the reduction of common-mode voltage and ground current in electric drives. Moreover, comparisons from a simulation complexity point of view have been performed... [more]
163. LAPSE:2023.26685
Potential of Straw for Energy Purposes in Poland—Forecasts Based on Trend and Causal Models
April 3, 2023 (v1)
Subject: Food & Agricultural Processes
Keywords: agriculture residues, Biofuels, forecasting, Modelling, Poland, renewable energy sources, straw
The mitigation of climate change poses a major challenge to the legal framework which aims to stimulate the development of renewable energy sources. The European Union’s direction for the use of renewable energy is distributed generation and an increased use of by-products and organic waste, especially in the production of next-generation biofuels. The main aim of this study is to evaluate the production potential of straw in Poland and the possibility of its use for energy purposes, including a forecast for 2030, on the assumption that the management of this resource is in accordance with the provisions of the Polish Code for Good Agriculture Practice. In Poland, in the years 1999−2018, the average annual surplus of straw harvested over agricultural consumption equalled 12.5 million tons (4.2 Mtoe). Its largest surpluses were in the Dolnośląskie, Kujawsko-Pomorskie, Lubelskie, Wielkopolskie, and Zachodniopomorskie voivodeships (NUTS2). Based on the developed panel models, forecasts fo... [more]
164. LAPSE:2023.26604
Stochastic Fractal Search Optimization Algorithm Based Global MPPT for Triple-Junction Photovoltaic Solar System
April 3, 2023 (v1)
Subject: Energy Systems
Keywords: Energy Efficiency, Modelling, Optimization, Renewable and Sustainable Energy, shading condition, triple junction solar cell
A significant growth in PV (photovoltaic) system installations have been observed during the last decade. The PV array has a nonlinear output characteristic because of weather intermittency. Partial shading is an environmental phenomenon that causes multiple peaks in the power curve and has a negative effect on the efficiency of the conventional maximum power point tracking (MPPT) methods. This tends to have a substantial effect on the overall performance of the PV system. Therefore, to enhance the performance of the PV system under shading conditions, the global MPPT technique is mandatory to force the PV system to operate close to the global maximum. In this paper, for the first time, a stochastic fractal search (SFS) optimization algorithm is applied to solve the dilemma of tracking the global power of PV system based triple-junction solar cells under shading conditions. SFS has been nominated because it can converge to the best solution at a fast rate. Moreover, balance between exp... [more]
165. LAPSE:2023.26426
Faraday’s Efficiency Modeling of a Proton Exchange Membrane Electrolyzer Based on Experimental Data
April 3, 2023 (v1)
Subject: Energy Systems
Keywords: crossover current, Energy Efficiency, faradaic losses, Faraday’s efficiency, gas pressure, hydrogen flow rate, Modelling, PEM electrolyzer
In electrolyzers, Faraday’s efficiency is a relevant parameter to assess the amount of hydrogen generated according to the input energy and energy efficiency. Faraday’s efficiency expresses the faradaic losses due to the gas crossover current. The thickness of the membrane and operating conditions (i.e., temperature, gas pressure) may affect the Faraday’s efficiency. The developed models in the literature are mainly focused on alkaline electrolyzers and based on the current and temperature change. However, the modeling of the effect of gas pressure on Faraday’s efficiency remains a major concern. In proton exchange membrane (PEM) electrolyzers, the thickness of the used membranes is very thin, enabling decreasing ohmic losses and the membrane to operate at high pressure because of its high mechanical resistance. Nowadays, high-pressure hydrogen production is mandatory to make its storage easier and to avoid the use of an external compressor. However, when increasing the hydrogen pressu... [more]
166. LAPSE:2023.26369
The Influent Effects of Flow Rate Profile on the Performance of Microbial Fuel Cells Model
April 3, 2023 (v1)
Subject: Biosystems
Keywords: electric power generation, flow rate, microbial fuel cells, Modelling, Wastewater
The energy contained in wastewaters has been identified as a promising sustainable energy resource that could be harvested by using microbial fuel cells (MFC). When dealing with real wastewaters, the MFCs should be able to manage high flow rates and flow rates fluctuations. In this work, the short-term effects of the influent flow rate variations on the performance of a microbial fuel cell has been studied. With this aim, the influent flow rate was stepwise increased from 0.72 to 7.2 L/d and then stepwise decreased. The obtained results indicate that, on the one hand, an increase in the influent flow rate leads to higher chemical oxygen demand removal rates up to 396 g/(L/d) and higher electric power generation almost 18 mW/m2, but to lower coulombic efficiencies. On the other hand, the reduction of the flow rate increases the coulombic efficiencies, as well as the percentage of chemical oxygen demand removed, but decreases electric power generation. In the short-term, the exposition t... [more]
167. LAPSE:2023.26065
Technical Approaches and Institutional Alignment to 100% Renewable Energy System Transition of Madeira Island—Electrification, Smart Energy and the Required Flexible Market Conditions
March 31, 2023 (v1)
Subject: Energy Systems
Keywords: dynamic market, energy system analysis, flexible demand, Modelling, multi-energy system, self-sufficiency, smart energy system
The integration of renewable energy (RE) in energy systems can be approached in many ways depending on local possibilities. Evaluating this in the limited context of islands, this paper presents a multi-energy system transition to a 100% RE share in a two-folded technical analysis. The case study of Madeira Island using the EnergyPLAN modeling tool is used to show strengths and weaknesses of, on the one hand, electrifying all transport and heating demands on an island, while remaining demands are supplied with biomass, and, on the other hand, additional smart charging, vehicle-to-grid, thermal collectors and storages, as well as electrofuel production and storages. Technical results indicate the potentials and advantages of the second approach with 50% less biomass and no curtailment at 1−3% higher costs, compared to the first one with 7% of production curtailed. The technical analysis is supported by the institutional analysis that highlights the balancing needs through additional fle... [more]
168. LAPSE:2023.25910
Reviewing the Modeling Aspects and Practices of Shallow Geothermal Energy Systems
March 31, 2023 (v1)
Subject: Modelling and Simulations
Keywords: energy geo-structures, Modelling, shallow geothermal energy systems, software tools, thermal analysis, thermo-hydro-mechanical
Shallow geothermal energy systems (SGES) may take different forms and have recently taken considerable attention due to energy geo-structures (EGS) resulting from the integration of heat exchange elements in geotechnical structures. Still, there is a lack of systematic design guidelines of SGES. Hence, in order to contribute towards that direction, the current study aims at reviewing the available SGES modeling options along with their various aspects and practices. This is done by first presenting the main analytical and numerical models and methods related to the thermal behavior of SGES. Then, the most important supplementary factors affecting such modeling are discussed. These include: (i) the boundary conditions, in the form of temperature variation or heat flow, that majorly affect the predicted thermal behavior of SGES; (ii) the spatial dimensions that may be crucial when relaxing the infinite length assumption for short heat exchangers such as energy piles (EP); (iii) the deter... [more]
169. LAPSE:2023.25883
Adsorption Isotherm Modelling of Water on Nano-Tailored Mesoporous Silica Based on Distribution Function
March 31, 2023 (v1)
Subject: Modelling and Simulations
A new model of adsorption isotherms Type IV and V is proposed as a basis for theoretical calculations and modelling of adsorption systems such as adsorption heat storage and heat pumps. As the current models have decent yet limited applicability, in this work, we present a new combined model with universal use for micro-mesoporous silica/water adsorption systems. Experimental measurement of adsorption isotherm of water onto seven different samples of micro and mesoporous silica and aluminium-silica were used to fit new adsorption models based on a combination of classical theories and a distribution function related to the pore-size distribution of the selected materials. The fitting was conducted through a repeated non-linear regression using Trust Region Reflective algorithm with weighting factors to compensate for the scalability of the adsorption amount at low relative pressure with optimization of the absolute average deviation fitting parameter. The results display a significant... [more]
170. LAPSE:2023.25880
Data for Urban Scale Building Energy Modelling: Assessing Impacts and Overcoming Availability Challenges
March 31, 2023 (v1)
Subject: Modelling and Simulations
Data are essential to urban building energy models and yet, obtaining sufficient and accurate building data at a large-scale is challenging. Previous studies have highlighted that the data impact on urban case studies has not been sufficiently discussed. This paper addresses this gap by providing an analysis of the impact of input data on building energy modelling at an urban scale. The paper proposes a joint review of data impact and data accessibility to identify areas where future survey efforts should be concentrated. Moreover, a Morris sensitivity analysis is carried out on a large-scale residential case study, to rank input parameters by impact on space heating demand. This paper shows that accessible data impact the whole modelling process, from approach selection to model replicability. The sensitivity analysis shows that the setpoint and thermal characteristics were the most impactful for the case study considered. Solutions proposed to overcome availability and accessibility... [more]
171. LAPSE:2023.25775
Dynamic Modeling of a Decarbonized District Heating System with CHP Plants in Electricity-Based Mode of Operation
March 29, 2023 (v1)
Subject: Modelling and Simulations
Keywords: Biomass, combined heat and power generation (CHP), district heating, heat storage, Modelling, Simulation
The targets of global CO2 reduction outline the importance of decarbonizing the heating and cooling sector, which consume half of the final energy in the European Union (EU). Consequently, heating network operators must adapt to growing requirements for carbon neutrality. Energy system modeling allows the simulation of individual network compositions and regulations, while considering electricity market signals for a more efficient plant operation. The district heating model, programmed for this work, covers a measured heat demand with peak load boiler, biomass-fired combined heat and power (CHP) plant, and biomass heating plant supply. The CHP plant reacts to electricity prices of the European Power Exchange market and uses a long-term heat storage to decouple heat and electricity production. This paper presents the results of three annual simulation scenarios aimed at carbon neutrality for the analyzed heating network. Two scenarios achieve a climate-neutral system by replacing the p... [more]
172. LAPSE:2023.25609
Land Subsidence Estimation for Aquifer Drainage Induced by Underground Mining
March 29, 2023 (v1)
Subject: Modelling and Simulations
Keywords: aquifer drainage, influence function, land subsidence, mining, Modelling
Land subsidence caused by groundwater withdrawal induced by mining is a relatively unknown phenomenon. This is primarily due to the small scale of such movements compared to the land subsidence caused by deposit extraction. Nonetheless, the environmental impact of drainage-related land subsidence remains underestimated. The research was carried out in the “Bogdanka” coal mine in Poland. First, the historical impact of mining on land subsidence and groundwater head changes was investigated. The outcomes of these studies were used to construct the influence method model. With field data, our model was successfully calibrated and validated. Finally, it was used for land subsidence estimation for 2030. As per the findings, the field of mining exploitation has the greatest land subsidence. In 2014, the maximum value of the phenomenon was 0.313 cm. However, this value will reach 0.364 m by 2030. The spatial extent of land subsidence caused by mining-induced drainage extends up to 20 km beyon... [more]
173. LAPSE:2023.25282
Coal Modeling Investigations in International Collaboration in the Light of Bibliometric Analysis of the Problem
March 28, 2023 (v1)
Subject: Modelling and Simulations
The article concerns an analysis of records registered in Web of Science (WoS) database related to the problem of coal modeling. All publications registered in the WoS from the time period 1951−2021 were analyzed, mostly in terms of international collaboration, merit content and research areas. It appeared that international scientific cooperation on this topic is differently considered, depending on the country. The leader in terms of the number of documents remains China, while the highest citation counts were gained by research teams, with the USA as the leader. Several sub-categories within research areas could be also divided on the basis of key words, while the most popular topic is connected with energetical aspects of coal utilization.
174. LAPSE:2023.24981
A Review on Theory and Modelling of Nanomechanical Sensors for Biological Applications
March 28, 2023 (v1)
Subject: Modelling and Simulations
Keywords: biology, cantilever, mass spectrometry, Modelling, nano-mechanics, sensors, theory
Over the last decades, nanomechanical sensors have received significant attention from the scientific community, as they find plenty of applications in many different research fields, ranging from fundamental physics to clinical diagnosis. Regarding biological applications, nanomechanical sensors have been used for characterizing biological entities, for detecting their presence, and for characterizing the forces and motion associated with fundamental biological processes, among many others. Thanks to the continuous advancement of micro- and nano-fabrication techniques, nanomechanical sensors have rapidly evolved towards more sensitive devices. At the same time, researchers have extensively worked on the development of theoretical models that enable one to access more, and more precise, information about the biological entities and/or biological processes of interest. This paper reviews the main theoretical models applied in this field. We first focus on the static mode, and then conti... [more]
175. LAPSE:2023.24788
Modeling of the Refractive Index for the Systems MX+H2O, M2X+H2O, H3BO3+MX+H2O, and H3BO3+M2X+H2O. M = K+, Na+, or Li+ and X = Cl− or SO42−
March 28, 2023 (v1)
Subject: Modelling and Simulations
Keywords: alkaline, boric acid, chloride, lithium, Modelling, polarization coefficient, refractive index, sulfate
The modeling of the refractive index for binary aqueous solutions of boric acid, sodium chloride, potassium chloride, sodium sulfate, lithium sulfate, and potassium sulfate, as well as ternary aqueous solutions of boric acid in the presence of sodium sulfate, lithium sulfate, or potassium chloride, is reported. The refraction index was represented by molar refraction. It was described as the sum of solutes’ partial molar refraction and solvent molar refraction. The solutes’ partial molar refraction was estimated from the molar refraction of the binary solutions. The excess molar refraction for these systems was described with the equation of Wang et al. The polarizability of the solutes present in the studied systems was estimated using the Lorenz−Lorenz relation. The results showed the model is appropriate for describing the systems studied; the interactions of boric acid, sodium, potassium, lithium, chloride, and sulfate ions with water molecules are relevant to explain the molar ref... [more]
[Show All Keywords]
[0.07 s]

