Number Of Moles Research Articles

Aggregation structure in {water + tert-butanol + benzyl alcohol} ternary solution: Measurements of density and conductivity

In this work, the densities of {water + tert-butanol (TBA) + benzyl alcohol (BA)} ternary solutions were measured, from which the formation and structure transition in {water + TBA + BA} ternary solutions were investigated and discussed. In {water + TBA + BA} ternary solution, at fixed mole number of BA molecules, the BA molecules in the system first present as free BA molecules and BA/TBA dimers, while further increase of TBA concentration would result in the interactions of BA molecules with different types of TBA/water aggregates that was directly reflected by the change of the volumetric properties. Moreover, the change of molar conductivity Λm(NaBr) of NaBr and the maximum absorbance length of methyl orange λmax in ternary system have been determined at different fixed values of TBA concentrations, where various changes of Λm(NaBr) and λmax with BA mass fraction were displayed due to the formation and transition of different microstructures. The results reported herein suggested that the fine structure transitions in hydrotrope solutions can be well reflected by the variance of thermodynamic properties, which may provide an efficient way to investigate the structure change in aqueous hydrotrope solution.

Profile of Mole Concept Engagement in Class XI IPA-5 SMA Negeri 2 Sampit Academic Year 2018/2019

This research was a descriptive research. The research respondents were 30 students of class XI IPA-5 SMA Negeri 2 Sampit for the 2018/2019 academic year. The research data was obtained through lesson plans, tests, and interviews. The results showed that the average mastery of students' concepts was 64% and was in the medium category. 40% (12 students) of concept mastery are in the high category, 36.67% (11 students) are in the medium category and 23.33% (7 students) are in the low category. As many as 86% (in the high category) students were able to convert the number of moles to the number of particles, mass and volume of substances with mastery of. Meanwhile, 30% (in the low category) students are able to apply the mole concept in solving chemical calculations with mastery of concepts.

Electrochemical Deposition of U and RE Elements Using the Stirred Liquid Cadmium Cathode in LiCl-KCl Molten Salts

This study was conducted in an attempt to understand the effect of a stirred liquid cadmium cathode (LCC) on the electrodeposition of U and U/RE on Cd. For this purpose, a series of electrowinning tests were performed using an LCC equipped with a Cd stirrer. Initially, three runs of the U electrodeposition tests were conducted using LiCl-KCl-UCl3 at 500°C under a constant current. From the results obtained from the initial three runs, it was found that the maximum deposited amount of U was 7.4 wt% U/Cd. U dendrite formation on the LCC crucible was not observed across each of the three runs. Three additional runs were conducted using LiCl-KCl-UCl3-RECl3 to determine the extent of U/RE electrodeposition. The maximum number of moles of U + RE metals deposited was 0.07, a value estimated to be 2.14 times higher than the solubility limits exhibited by these metals in Cd. The results of this study show that the use of a Cd stirrer significantly improves the extent of U deposition.

The Influence of Hyper-Alkaline Leachate on a Generic Host Rock Composition for a Nuclear Waste Repository: Experimental Assessment and Modelling of Novel Variable Porosity and Surface Area

Deep geological disposal is the preferred solution for long-term storage of radioactive waste in many countries. In a deep repository, cementitious materials are widely used in the structure and buffer/backfill of the repository for the stabilisation of the hazardous materials. The cement acts as a physical barrier and also contributes chemically to waste containment by buffering the groundwater to a high pH, limiting the solubility of many radionuclides. This paper describes an experimental and modelling study which evaluates the geochemical interaction between young cement leachate (YCL, pH = 13) and a generic hard rock (in this case Hollington sandstone, representing a ‘hard’ host rock) during permeation with the leachate, as it drives mineralogical changes in the system. One-dimensional reactive transport was modelled using a mixing cell approach within the PHREEQC geochemical code to identify the essential parameters and understand and scale up the effect of variations in these parameters on the observed geochemical processes. This study also focused on the effects of variable porosity, reactive surface area and pore volume on improving the modelling of rock alteration in the system compared to conventional models that assume constant values for these properties. The numerical results showed that the interaction between the injected hyper-alkaline leachate and the sandstone sample results in a series of mineralogical reactions. The main processes were the dissolution of quartz, kaolinite and k-feldspar which was coupled with the precipitation of calcium silicate hydrate gel and tobermorite-14A (C–S–H), prehnite (hydrated silicate), saponite-Mg (smectite clay) and mesolite (Na–Ca zeolite). The simulation showed that the overall porosity of the system increased as primary minerals dissolve and no stable precipitation of the secondary C–S–H /C–A–S–H phases was predicted. The variable porosity scenario provides a better fitting to experimental data and more detailed trends of chemistry change within the column. The time and the number of moles of precipitated secondary phases were also improved which was related to greater exposure surface area of the minerals in the sandstone sample to the YCL.Article HighlightsThe drop in calcium, aluminium and silicate concentrations is mainly due to the formation of calcium silicate hydrate and zeolite minerals as secondary phases. The simulation showed that the overall porosity of the system increased as primary minerals dissolve and no stable precipitation of the secondary C–S–H /C–A–S–H phases was predicted.The dissolution of primary minerals and the precipitation of secondary C–S–H phases had a minimal effect on the pH values, and this was controlled mainly by the initial fluid chemistry.The variable porosity scenario provides a better fitting to experimental data and more detailed trends of chemistry change within the column.

Fully implicit two-phase VT-flash compositional flow simulation enhanced by multilayer nonlinear elimination

VT flash calculation, with the variable specification of volume, temperature and mole numbers, is a newly-rising alternative to the conventional PT flash calculation for phase behavior modeling. Until now, VT flash is primarily used as standalone calculation to solve phase equilibria problems and few works apply it to compositional flow simulation. In this study, an improved two-phase VT-flash compositional flow algorithm is developed with the multilayer nonlinear elimination method. Compared to the preceding works, the robustness and efficiency of the new algorithm is significantly improved as the nonlinear elimination method implicitly removes locally large nonlinearities and thus restore large step length for Newton iterations. To enhance the computational efficiency, an adaptive time stepping control is used to adjust the timestep size. Moreover, unnecessary stability tests are bypassed using a modified shadow region method, which accommodates to substantial composition change under large time steps. A number of numerical examples are presented to demonstrate the robustness and efficiency of the proposed VT-flash compositional flow algorithm with multilayer nonlinear elimination. Even though the convergence issue is not fully resolved, which roots in the nondifferentiable equilibrium pressure at phase boundary, the occurrence of time refinements is significantly reduced with the help of multilayer nonlinear elimination. It is also found that multilayer nonlinear elimination generally increases the number of Newton iterations slightly but enlarges the timestep size significantly. Thus, the overall computational efficiency of the VT-flash compositional flow simulation is enhanced under the multilayer nonlinear elimination method.

Recent developments for molten salt systems in Thermochimica

The modified quasi-chemical model in the quadruplet approximation has been implemented in the open-source equilibrium thermodynamics library Thermochimica, enabling single point equilibrium calculations and sophisticated multi-physics simulations of molten salt nuclear reactor systems. Here, the derivations necessary to obtain the chemical potentials of the quadruplet species required for Gibbs energy minimization are provided. The implementation is verified via code-to-code benchmarking against FactSage. A scheme to increase computational efficiency of multi-physics simulations including Thermochimica is described and its effectiveness for molten salt systems demonstrated. Finally, a multi-physics simulation of a molten salt nuclear fuel system is presented as a demonstration problem: ORIGEN-S is used to calculate the isotopic evolution of a fuel-loaded FLiBe mixture with fission and activation products as Thermochimica predicts the phase evolution and number of moles of Cs in various phases.

Experimental Simulation of Hydrate Formation Process in a Circulating Device

This paper focuses on the model of gas hydrate formation in an experimental device, which allows the circulation of the resulting mixture (water and gas) and significantly accelerates the process of hydrate formation in the laboratory. A 3D model was developed to better imagine the placement of individual parts of the device. The kinetics of hydrate formation were predicted from equilibrium values of chemical potentials. The aim of solving the equations of state gases in the mathematical model was to optimize the parameters involved in the formation of hydrates. The prediction of the mathematical model was verified by numerical simulation. The mathematical model and numerical simulation predict the chemical reaction evolving over time and determine the amount of crystallized water in the reactor. A remarkable finding is that the deviation of the model and simulation at the initiation the calculation of crystallized water starts at 76% and decreases over time to 2%. Subsequently, the number of moles of bound gas in the hydrate acquires the same percentage deviations. The amount of water supplied to the reactor is expressed by both methods identically with a maximum deviation of 0.10%. The different character is shown by the number of moles of gas remaining in the reactor. At the beginning of the calculation, the deviation of both methods is 0%, but over time the deviation slowly increases, and at the end it expresses the number of moles in the reactor with a deviation of 0.14%. By previous detection, we can confirm that the model successfully determines the amount of methane hydrate formed in the reactor of the experimental equipment. With the attached pictures from the realized experiment, we confirmed that the proposed method of hydrate production is tested and takes minutes. The article calculates the energy efficiency of natural gas hydrate in the proposed experimental device.

Characteristics and Environmental Response of White Secondary Mineral Precipitate in the Acid Mine Drainage From Jinduicheng Mine, Shaanxi, China

The study focuses on the white secondary mineral precipitate and its environmental response formed in acid mine drainage (AMD) at Jinduicheng Mine (Shaanxi, China). The mineral composition of white precipitate was characterized by Scanning electron microscopy-energy dispersive spectrometer (SEM-EDS), X-ray photoelectron spectroscopy (XRD), Fourier transform infrared spectroscopy (FT-IR), X-ray photoelectron spectroscopy (XPS), Inductively coupled plasma-atomic emission spectrometer (ICP-AES), chemical quantitative calculation and PHREEQC software. The white precipitate was a kind of amorphous crystal with the characteristics of a fine powder, and its main elements were O, Al, S, F, OH- and SO42- groups. Moreover, by comparing the mole number of chemical elements, the main mineral composition of the white precipitate was closest to basaluminite. The geochemical simulation result of the PHREEQC software verified that the white precipitate was basaluminite. According to the analysis of water quality characteristics of water samples, basaluminite can reduce the ions content in the AMD and enrich Cu, Ni, Mo, Cr and F ions, showing an excellent self-purification capacity of the water body. These results are helpful to improve the understanding of secondary mineral and its environmental response, and are of great significance for the environmental protection and sustainable development of mining area.

Renewable biosurfactants for energy-efficient storage of methane: An experimental and computational investigation

The continuously increasing demand for natural gas as an available and clean energy source indicates an inevitable transition to develop more promising technologies such as solidified natural gas (SNG) storage. Herein, we present a comprehensive experimental and computational study of the utilization of sunflower oil as a renewable biomass source to design highly efficient promoters based on the properties of sodium dodecyl sulfate (SDS) for methane hydrate formation. The effect of sunflower oil-based promoters (SFOPs) on methane hydrate kinetics was investigated theoretically via molecular dynamics (MD) simulation and experimentally under both dynamic (stirred reactor) and static (in the presence of porous media) conditions. SFOP1 considerably reduced induction time and overall time of the hydrate formation process compared to SDS under both conditions. In addition, SFOP1 significantly enhanced the kinetic constant of hydrate formation by 13.5 times, 3.7 times, and 2.5 times compared to pure water, SFOP2, and SDS systems, respectively, (in dynamic conditions). Moreover, both SFOPs improved the number of moles of gas consumed up to 450 mM in dynamic and 200 mM in static conditions compared to the pure water test. In contrast to the SDS solution, no foam formation was observed in the solution containing SFOPs. The MD results revealed that the SFOPs increased the transfer of methane molecules to the growing hydrate surface, which lead to enhance the kinetics of methane hydrate formation. Besides, more hydrate was formed by the addition of SFOP1 because of the improvement in the hydrogen bonds between water-water molecules in comparison with SFOP2. These findings clearly confirm that sunflower oil can be used for the development of green and more efficient promoters than SDS for methane hydrate formation without foam generation during the process.

Anew Synthetic Polymers Based on Polyaniline for Dual-Functional Applications: Photoelectrochemical Water Splitting and Antibacterial Activities.

Polysulfanilic acid has a low efficiency for the photoelectrochemical (PEC) production of H2 from water splitting due to high recombination rate of charge and low electrical conductivity. Therefore, polyaniline was doped with polysulfanilic acid to form a copolymer and a blend to enhance its PEC heterogeneous catalytic performance. This was achieved through the improvement of visible light absorption and charge carriers’ separation property. Herein, nine polymer samples of polysulfanilic acid were synthesized by oxidative polymerization. The structural, morphological, and optical properties of the synthesized polymeric materials were investigated. Interestingly, these polymer samples had multifunctional applications regarding their hydrogen generation efficiency. Photoelectrodes of different compositions from pure and blended polymers were prepared and used for the PEC solar hydrogen production from water. Different PEC parameters including the oxidant role, monochromatic illumination wavelength, and electrode reusability were optimized toward the efficient hydrogen generation. Moreover, the PEC performance was evaluated using key indicators such as photocurrent density, conversion efficiency, and the number of hydrogen moles. The number of hydrogen moles was quantitatively estimated to be 140.4, 160.2, and 300 μmol/h·g at −1 V for the polymer, copolymer, and polymer blend, respectively, in the presence of APS + FeCl3 as an oxidant. Further, other samples of polymers showed antimicrobial properties against different species of bacteria. Hence, the present study may provide a cost-effective method to produce solar hydrogen fuel from water.

High concentrations of casein proteins exacerbate radical chain reactions and increase the extent of oxidative damage

The co-existence of proteins, lipids and riboflavin (RF) in milk together with the harsh conditions encountered during processing (e.g. high temperatures, light exposure) results in oxidative damage. Proteins represent ~30 % of the dry mass of milk, with caseins accounting for ~80 % (28 g L−1). Due to their high abundance and amphiphilic nature, caseins are targets for both hydrophilic and lipophilic oxidants. Although caseins are key milk components, and highly abundant, most previous work has employed non-biological dilute solutions. In this work we have investigated oxidative modification of αs-, β- and κ-caseins elicited by AAPH-derived oxygenated radicals, or RF-mediated photo-oxidation, at both low and high protein concentrations, to determine whether and how oxidative damage and resulting structural modifications are modulated by the protein concentration. The data obtained demonstrate that the pathways leading to casein modification are dependent on both the protein concentration and the oxidant employed. AAPH-mediated oxidation was more efficient than RF-induced photo-oxidation, in respect to the number of moles of amino acid side-chains consumed per mole of oxidant generated, the extent of damage detected by SDS-PAGE, and immunoblot detection of oxidation products. Quantification of amino acid consumption and product generation, using UPLC and LC/MS, demonstrates the occurrence of short chain reactions, with the chain-length dependent on the protein concentration. LC/MS peptide mass mapping analyses provide data on the sites of modification. Molecular crowding, arising from high casein concentrations and casein-casein interactions, therefore favors the occurrence of radical chain events that enhance the extent of protein oxidative damage.

The Promotor and Poison Effects of the Inorganic Elements of Kraft Lignin during Hydrotreatment over NiMoS Catalyst

One-pot deoxygenation of kraft lignin to aromatics and hydrocarbons of fuel-range quality is a promising way to improve its added value. Since most of the commercially resourced kraft lignins are impure (Na, S, K, Ca, etc., present as impurities), the effect of these impurities on the deoxygenation activity of a catalyst is critical and was scrutinized in this study using a NiMoS/Al2O3 catalyst. The removal of impurities from the lignin indicated that they obstructed the depolymerization. In addition, they deposited on the catalyst during depolymerization, of which the major element was the alkali metal Na which existed in kraft lignin as Na2S and single-site ionic Na+. Conditional experiments have shown that at lower loadings of impurities on the catalyst, their promotor effect was prevalent, and at their higher loadings, a poisoning effect. The number of moles of impurities, their strength, and the synergism among the impurity elements on the catalyst were the major critical factors responsible for the catalyst’s deactivation. The promotor effects of deposited impurities on the catalyst, however, could counteract the negative effects of impurities on the depolymerization.

A Photochemical Reaction and Applications in Organic Synthesis

Chemical as well as physical property that may occur under the influence of light is called Photochemistry. Photochemical transformations have been governed by two fundamental principles. These principals are First law: This law is also called as Grotthuss-Draper law; it states that for a photochemical reaction to take place it should be essential that light must be absorbed by a compound. Second law: The second law or Stark-Einstein law gives a photo equivalence law which is states that for each photon of light absorbed by a compound only one molecule of compound is activated for corresponding reaction. The efficiency of each photochemical process is calculated by Quantum Yield (Φ). Many photochemical reactions are complex, thus the quantum yield is specified for a particular event. It is defined as “ratios of the number of moles of a reactant disappearing, or the number of moles of a product obtained, per one mole of light absorbed by compound.” After that many of secondary reactions proceeded (shown in the gray box). Absorption of light (uv/vis) induces energy sufficient in molecule to break covalent bonds. Since, E = hc / λ, hence, longer wavelength have less energy and vice-versa. Consequently, ultraviolet light is most effect photochemical reactions. In this review we discuss about amongst all some of photochemical reactions collectively which are initiated by ultraviolet light specifically.

Interaction between CO–Ar–Molten Steel Flow and Decarburization Reaction in Rheinstahl–Heraeus

Computational fluid dynamics (CFD) is an effective tool to investigate the transfer phenomena in Rheinstahl–Heraeus (RH), which is a multifunctional vacuum refining reactor with various chemical reactions. However, the reported mathematical models, which are based on the assumption of steady Ar–molten steel flow, ignore the CO gas generated by the chemical reaction between carbon and oxygen in RH. Herein, Based on the algebraic slip model, a two‐way coupling model (T‐WCM) is developed to explore the unsteady fluid flow (CO–Ar–molten steel) and mass transfer phenomena during decarburization chemical reaction. The measured data from the water model experiment and the industrial experiment are used to validate the numerical results. The carbon mass concentration predicted by T‐WCM is closer to the result from industrial experiment than that predicted by one‐way coupling model (O‐WCM). The mole number of CO gas is about 3 times that of argon gas injected into RH, and the stirring effect of CO gas leads to a more complicated multiphase flow, enhances the mass transfer and prompts the reaction rate. Therefore, the gas–liquid flow and decarburization process in RH can be described more precisely only when CO gas is considered by T‐WCM.

Dielectric properties of the system: 4-n-pentyloxybenzoic acid– N-(4-n-butyloxybenzylidene)-4᾽-methylaniline

Objectives. Our aim was to study the dielectric properties of the 4-n-pentyloxybenzoic acid– N-(4-n-butyloxybenzylidene)-4’-methylaniline system and reveal how different concentrations of N-(4-n-butyloxybenzylidene)-4’-methylaniline additives affect the dielectric properties of 4-n-pentyloxybenzoic acid.Methods. System properties were investigated using polarization thermomicroscopy and dielcometry.Results. We found that dielectric anisotropy changes its sign from positive to negative at the transition temperature of the high-temperature nematic subphase to the low-temperature one. The anisotropy of the dielectric constant of N-4-n-butoxybenzylidene-4’-methylaniline has a positive value and increases as to the system approaches the crystalline phase. The crystal structure of the 4-n-pentyloxybenzoic acid contains dimers formed by two independent molecules due to a pair of hydrogen bonds. The crystal structure of N-(4-n-butoxybenzylidene)-4’-methylaniline contains associates formed by orientational interactions of two independent molecules. 4-n-Pentyloxybenzoic acid dimers (270 nm) and associates of N-4-n-butoxybenzylidene-4’- methylaniline (250 nm) proved to have approximately the identical length. Considering the close length values of the structural units of both compounds and the dielectric anisotropy sign, we assume that the N-4-n-butoxybenzylidene-4’-methylaniline associates are incorporated into the supramolecular structure of the 4-n-pentyloxybenzoic acid. The specific electrical conductivity of the compounds under study lies between 10−7 and 10−12 S∙cm−1. The relationship between the specific electrical conductivity anisotropy and the system composition in the nematic phase at the identical reduced temperature, obtained between 100 and 1000 Hz is symbatic. However, the electrical conductivity anisotropy values of the system obtained at 1000 Hz are lower compared to those obtained at 100 Hz. At N-(4-n-butoxybenzylidene)-4’-methylaniline concentrations between 30 and 60 mol %, the electrical conductivity anisotropy values are higher than those of the individual component.Conclusions. A change in the sign of the dielectric constant anisotropy of the 4-n-pentyloxybenzoic acid during nematic subphase transitions was established. We showed that the system has the highest dielectric constant anisotropy value when components have an equal number of moles. Highest electrical conductivity anisotropy values are observed when the concentration of the N-4-n-butoxybenzylidene-4᾽-methylaniline system lies between 30 and 60 mol %.

Assessment of liquefied natural gas (LNG) regasified through gas interchangeability in energy consumption sectors

Cusiana and Cupiagua fields represent 51% of Colombia natural gas production. However, some studies predict that in 2023, the reserves of the fields will decrease significantly causing an imbalance between supply and demand of natural gas within the country. Therefore, in order to face the situation, innovative strategies must be developed and implemented to provide energy security for the coming years. One of the strategies that has been applied in different countries is the incorporation and implementation of liquefied natural gas (LNG) technologies. However, it is necessary to evaluate the supply and demand of the country to determine the scale of LNG production and regasification technology, as well as the technical feasibility of its incorporation into the country’s energy matrix, taking into account the main sectors of final consumption. Therefore, in this work an analysis of the supply and demand of natural gas in the country from different sectors of energy consumption is made. In addition, an analysis was made on the natural gas currently marketed in Colombia by means of a gas interchangeability methodology. A set of novel equations was presented to determine the mole fraction of propane and methane in the equivalent mixture considered by Dutton’s method, as well as the number of moles associated with the hydrocarbon equivalent in methane and propane, parameters required to establish the mole fraction of nitrogen and inert chemical species such as carbon dioxide in the equivalent mixture and the percentage of propane and nitrogen equivalent. It was determined that the LNG regasified at the SPEC-LNG plant is an interchangeable gas from a conventional point of view mainly with the gas produced at Cusiana. However, when evaluating all the Dutton indexes, these are not interchangeable since it presents an incomplete combustion factor (ICF) outside the recommended limit.

The heterogeneity of population with high risk for melanoma and other skin cancer: a latent class analysis.

To examine whether there is heterogeneity in the risk factors for skin cancer among the high-risk population in Slovenia, a Central European country with the second-largest age-standardized melanoma-related mortality rate in Europe. We analyzed data collected during the 'Euromelanoma Day' 2010-2019. The outcome was the prevalence of newly suspected skin cancer. The independent variables were 17 known risk factors and protective behaviors. We performed a latent class analysis with skin cancer as a covariate. We analyzed data from 1711 participants with a median (interquartile range) age of 52 (39-63) years, 52% of whom were women. During the 10 years, 81 cases of melanoma and 213 cases of other skin cancers were suspected. The model with three latent classes had the best fit. Two latent classes had a high risk for melanoma and other skin cancer: 3 and 19% respectively in class 2; 14 and 29% in class 3. The largest significant differences between the two high-risk classes were the older age and lower frequency of sunscreen use in high-risk class 2 and the number of atypical nevi, a large number of common moles, many moles as the primary motive to participate in Euromelanoma examination and having a skin phototype I or II in the highest-risk latent class 3. There is heterogeneity in the risk factors for skin cancer among the Euromelanoma high-risk population. This heterogeneity should be tested in other countries, and if the findings are consistent, they should be used to refine secondary prevention programs.

Фактор неидеальности в энтропийно-мультифрактальном анализе самоорганизованных структур растительных полимеров (лигнинов)

An attempt has been made to introduce the generalized non-ideality factor of systems g (GNF) into information entropy equations that describe self-organized structures of essentially nonequilibrium systems with the use of studying the topological properties of high molecular weight compounds in solutions using wood lignins as an example. The factor g as a relative thermodynamic characteristic connects the ideal and real models of systems in which two competitive (opposite in sign and action) processes can be distinguished: order (−) ↔ chaos (+); attraction (−) ↔ repulsion (+); compression (−) ↔ extension (+); clustering (−) ↔ decay (+), etc.g = 1 + 〈– βord + αnord〉 = 1 + 〈– pi (β) + pi (α)〉, где – βord ≡ 1/nΣinβi и αnopd ≡ 1/nΣniαi are relative average characteristics (pi – probabilities) of oppositely occurring processes. The factor g varies in the interval 0≤ g ≥1 and depends on which of the competitive processes prevails. For αnord = 0 g → 0, for βord = 0 g→2, for g = 1 the behavior of the elements of the system will be ideal. The factor g is introduced into any classical equations suitable for studying ideal systems with the aim of using them to describe real systems (for example, the equations of Henry, Raoult, Van’t Hoff, general gas, etc.). Strictly mathematically, the factor g is defined through the values M – measure, e – size (scale), and d – dimension as a ratio of logarithms of measures of real (М*) and ideal (М0) states of the object: gth = lnМ*/lnМ0 = d/D, where M* and M0 can be the number of elements in the structure of the fractal real (for example, cluster) or mathematical object (for example, Sierpinski triangle) Nd and the number of elements in the structure of the object in the perfect condition, having the property of multi-scale and self-similarity, ND, where d and D are the fractal and Euclidean dimensions. As a thermodynamic characteristic gth is defined by the ratio of thermodynamic functions, functionals, for example, ΔGi*/ΔGi, where ΔGi* = –RTlnаi is real and, ΔGi = –RTlnNi is ideal state; the number of moles of n* − real state of matter to n − ideal state of matter; relative entropies of the system ΔSreal/ΔSid (ΔSid − Boltzmann entropy). New expressions of the information and thermodynamic entropies with a fractional (0:1) moment of order and with the entropic gS and gth non-ideality factors are obtained for the analysis of self-organized quasi-equilibrium structures in the Renyi formalism SgSM–Rn(p) = R/(1 – gS)lnΣNipgSi; SgthM–Rn = R/(gth)ln(ΣNi=1pigth – 1); in the Tsallis formalism SgSM–TS (p) = R(1 – ΣiN(e)pigS)/(gS – 1); SgthM–TS (p) = R(1 – ΣiN(e)pi1–gth)/gth with an application for studying the topological properties of high-molecular compounds by hydrodynamic methods, as well as the thermodynamics of polymer solutions.For citation: Makarevich N.A. Non-Ideality Factor in Multifractal and Entropy-Based Analysis of Self-Organized Structures of Plant Polymers (Lignins). Lesnoy Zhurnal [Russian Forestry Journal], 2021, no. 2, pp. 194–212. DOI: 10.37482/0536-1036-2021-2-194-212

Effect of hydrophobic phenomena over the volumetric behavior of aqueous ionic liquid solutions

To explore the effect of ionic liquid hydrophobicity over the volumetric properties, density has been determined for six of these compounds in aqueous solution in the temperature interval (293.15–308.15) K, covering the diluted region. For three of these binary systems, density at 298.15 K in the pressure interval (0.1–95) MPa has been also measured. The atmospheric pressure density is used together with high pressure data to calculate excess volumes as a function of pressure with high accuracy through an integration scheme based on the excess volume derivative against pressure. Since hydrophobic phenomena is known to have a greater effect over second and third order derivatives of the thermodynamic potential, partial molar volume as well as the its derivative against mole number of the ionic liquid are calculated. Clear anomalies are detected in these magnitudes for all binary systems, very similar to those found for low molecular weight amphiphiles. Dependencies of this anomalous behavior against temperature and pressure are also analyzed.

Development of a method for the detection of Cu2+ in the environment and live cells using a synthesized spider web-like fluorescent probe

A macrocyclic Schiff base fluorescent probe [1,2-phenylenediamine-2,6-pyridinedialdehyde macrocyclic Schiff base] (BP-MSB) based on 2,6-pyridinedialdehyde was synthesized for use in the detection of Cu2+ in environmental water samples and live cells imaging by the method of specific recognition. The free fluorescent probe BP-MSB shows strong fluorescence in DMSO/H2O. The probe shows high sensitivity and selectivity for Cu2+ through “turn-off” fluorescence response in DMSO/H2O buffer solution (pH = 6.5), with a detection limit of 0.83 nM, which is far below the maximum allowable drinking water content of 20.0 μM specified by the US Environmental Protection Agency. The BP-MSB fluorescence quenching method was used for the determination of Cu2+ in Xiang Jiang water samples and tap-water. Furthermore, addition of the same number of moles of ethylene diamine tetraacetic acid (EDTA) can realize the reversible recognition of Cu2+ by the probe BP-MSB. Most importantly, the fluorescence imaging of live cells after incubation of BP-MSB with GM12878 cells showed good imaging performance, confirming the sensitivity of the fluorescent probe BP-MSB in vivo. The probe was also used to form an analog logic gate. This probe has the advantages of good stability, simple operation and high selectivity, which provides a broad prospect for environmental monitoring, intracellular detection and practical application of POCT.