Statistical Physics Treatment Research Articles

A statistical physics-based methodology for evaluating the efficiency of an adsorption refrigeration cycle using C3H2F4/Maxsorb III

Recently, the statistical physics modeling found a great success in the description of various aspects of adsorption phenomena such as olfaction, depollution, and photovoltaic processes. Therefore, we attempted here to apply this treatment in the domain of refrigeration by an adsorption/ desorption process cycle, using the grand canonical formalism of the statistical physics as a working tool. So, for this study, four advanced equations based on statistical physics treatment are used to clarify the adsorption process at molecular level and define its physico-chemical parameters for refrigeration applications. Our results showed that the double layer model with two energies provides useful details concerning this phenomenon by determining the number of captured HFO-1234ze (E) (C3H2F4) molecules per site nAM, the density of receptor site Drs, the adsorption quantity at saturation N a sat and two energetic parameters Phs1 and Phs2. The steric results revealed that the adsorbed C3H2F4 molecules tended towards a parallel position when the temperature increased. Evaluations of the adsorption energies and enthalpy values indicated that the anchoring process is exothermic and of a physisorption nature. In order to improve the thermodynamic efficiency, the coefficient of performance was calculated by analyzing changes in thermodynamic functions, giving a value of 0.58 for the C3H2F4 / Maxsorb III. Also, the COP value can be enhanced by using the same adsorbate with high compressibility to minimize the machine size but changing the present adsorbent by activated carbon derived from biomass such as: Waste Palm Trunk (WPT-AC) and Mangrove wood (M−AC).

Understanding the adsorption of Reactive red 2 onto metal hydroxide sludge: analysis with physico-statistical steric and energetic perspectives.

This theoretical investigation delves into the analysis of Reactive red 2 (RR-2) adsorption isotherms on metal hydroxide employing a sophisticated double-layer model characterized by dual-energy levels within the realm of physical adsorption phenomena. An examination of five distinct statistical physics frameworks was undertaken to elucidate the modeling and interpretation of equilibrium data. Expression for the physico-chemical parameters involved in the adsorption phenomena was derived based on statistical physics treatment. Fitting experimental adsorption isotherms (308-333K) to a DAMTBS has revealed the number of anchored molecules per site, occupied receptor site density, and the number of adsorbed layers. The steric parameter n varies between 0.92 and 1.05. More importantly, it is evidenced that the adhesion mechanism of (RR-2) onto metal hydroxide as determined by the estimated adsorption energies (< 40kJ/mol) supports a spontaneous and exothermic physisorption process. Thermodynamic potential functions such as entropy, Gibbs free energy, and internal energy have been computed based on the most suitable model. This research advances our physical understanding of how metal hydroxide captures dye molecules RR-2 through adsorption reaction for water depollution treatment.

Statistical physics of frictional grains: Some simple applications of the Edwards statistics

Granular matter like sand is composed of a large number of interacting grains and is, thus, expected to be amenable to a statistical physics treatment. Yet, the frictional properties of grains make the statistical physics of granular matter significantly different from the equilibrium statistical physics of atomic or molecular systems. We use three simple models to illustrate some of the key concepts of the statistical physics introduced by Edwards and co-workers more than 30 years ago to describe shaken granular piles: non-interacting frictional grains attached to a wall by a spring, a chain of frictional grains connected by springs, and a simplified mean-field model of a granular packing. We observe that a chain of frictional grains connected by springs exhibits a critical point at an infinite effective temperature (i.e., infinitely strong shaking) at odds with the zero-temperature critical point generically found in one-dimensional systems at thermal equilibrium in the presence of local interactions.

A novel magnetic geopolymer-based adsorbent prepared from heated glauconite and separated magnetite: Experiments and statistical physics treatment for crystal violet

Sinai copper ore with 9.48 % of Fe2O3 was treated using a laboratory-scale mineral processing techniques that included size reduction (below 75 µm) and a wet low intensity drum-type magnetic separation. After this treatment method, the separated magnetite product containing about 85 % of Fe2O3 was extracted. A mixture of heated glauconite (900 °C/2h) and the extracted magnetite was activated by sodium silicate (Na2SiO3) to obtain a novel glauconite-based magnetic geopolymer (namely GMG). Several analytical techniques (i.e., XRD, XRF, FESEM, FTIR, EDX, TEM, elemental mapping, and zeta potential) were used in the characterization of GMG and its performance for crystal violet (CRV) remediation was studied. The equilibrium data at pH 8.0 and 25 – 50 °C were fitted to a statistical physics multilayer model and classical isotherm equations to understand the CRV adsorption mechanism. The theoretical calculations indicated that GMG can adsorb 1.12 to 1.39 of CRV molecules per functional group (n), suggesting the presence of a multi-interaction mechanism and vertical adsorption orientation on GMG surface. For this basic dye, the estimated saturation adsorption capacities (Qsat) ranged from 684 to 612 mg/g, and an exothermic binding interaction was associated with the removal of this dye molecule. The adsorption energies (ΔE) ranged between 15.05 and 36.74 kJ/mol, indicating that physical forces, such as electrostatic interactions and hydrogen bonds, governed the GMG-CRV interactions. After fourth adsorption–desorption cycles, the regenerated GMG showed 74 % of its adsorption capacities, which suggested the suitability of this adsorbent to be regenerated and reused multiple times in water treatment. Overall, the combination between the separated magnetite and glauconite was an effective approach for the remediation of effluents that contain dye molecules

Quantitative investigations of Zebrafish olfactory receptor ORA1 responsiveness to three pheromones: Microscopic and macroscopic characterizations via an advanced statistical physics treatment

In this work, an adsorption phenomenon putatively involved in the olfactory sense of phenylacetic acid, 4-chlorophenylacetic acid, and 4-methoxyphenylacetic acid pheromones in the Zebrafish olfactory receptor ORA1 was a helpful mechanism in interpreting and characterizing the olfaction process at a molecular level. Hence, the experimental dose-olfactory response curves were fitted by applying the one-layer adsorption model with a single energy (1LM1E). On one hand, the different parameters introduced in the selected model were used to microscopically study the three olfactory systems. Indeed, the fitting results showed that phenylacetic acid displayed the greatest maximum olfactory response at saturation, due to the effect of functional groups at the R4 position. The three pheromones were docked via a non-parallel orientation and the adsorption process was a multi-molecular mechanism. The sizes of different binding pockets of ORA1 were determined through the estimation of the olfactory receptor site size distributions (stereographic characterization). The estimated adsorption energies, ranging from 17.340 to 21.332 kJ/mol, can be used to describe the energetic interactions between the studied pheromones and the Zebrafish ORA1 binding pockets. The spectrums of the adsorption energy distributions of phenylacetic acid, 4-chlorophenylacetic acid, and 4-methoxyphenylacetic acid, which were spread out from 10 to 32.5 kJ/mol, 5 to 30 kJ/mol, and 10 to 32.5 kJ/mol, respectively, was determined to estimate the corresponding olfactory bands (energetic characterization). On the other hand, three thermodynamic functions were estimated in order to macroscopically study the three olfactory systems.

Utilization of red clay brick waste in the green preparation of an efficient porous nanocomposite for phenol adsorption: Characterization, experiments and statistical physics treatment

Red clay brick waste was utilized, for the first time, in the green preparation of nanoscale zero-valent iron (nZVI) to impregnate with activated charcoal (ACh). The as-synthesized nZVI@ACh composite was characterized via X-ray diffraction (XRD), Fourier transform infrared (FTIR) spectrometry, thermogravimetric analysis (TG) and its derivative thermogravimetry (DTG), field-emission scanning electron microscopy (FESEM), and transmission electron microscopy (TEM). This novel material was employed for phenol remediation at 25, 35, and 45 °C and pH 7. The results indicated that the prepared ZVI nanoparticles could be either trapped or distributed on the ACh structure. Experimental studies and their modeling with statistical physics theory were applied to analyze the phenol adsorption performance and mechanism using the nZVI@ACh. The phenol adsorption data fitted well to the Langmuir model, with maximum adsorption capacities of 122.85, 137.46, and 152.22 mg/g at 25°, 35°, and 45 °C, respectively. Theoretical calculations via statistical physics indicated that phenol molecules were removed on the nZVI@ACh following the hypothesis of the advanced monolayer model. The number of molecules adsorbed per site (n) ranged from 1.13 to 1.26 suggesting the involvement of vertical geometry and multi-molecular mechanism at all temperatures. The increment of the receptor sites density (NM) from 83.47 to 121.40 mg/g and the adsorption capacity at saturation (Qsat) from 104.75 to 137.19 mg/g with increasing temperature suggested the endothermic behavior of this removal process. Energetically, the phenol adsorption was directed by physical forces with adsorption energies (ΔE) ranging from 13.85 to 16.45 kJ/mol. Macroscopically, phenol adsorption onto nZVI@ACh was spontaneous according to the calculated thermodynamic functions. The developed nZVI@ACh adsorbent can be easily regenerated and reused preserving its competitive adsorption performance. Overall, these results offer a new approach that takes the Fe-rich solid wastes to the next standard in the design of outstanding and low-cost adsorbents for wastewater remediation. Also, the experimental study supported by the theoretical analysis generated new insights of the adsorption system at the micro- and macroscopic scales.

A putative biological adsorption process of binary mixture taste of sucrose and caffeine on human neuroreceptor site by the use of statistical physics modeling

This work represents a contribution in the comprehension of a racimic mixture of caffeine-sucrose molecules and their taste-taste interaction, by the use of a binary model expression of non-exclusive competitive extended Hill model. This extended model is deduced by statistical physics treatment. The simulation results suggested that the sucrose molecule formed an aggregate of two molecules and anchored with a non-parallel position onto the human neuroreceptor taste sites. Contrary to the sucrose molecule, the molecule of caffeine is anchored in a parallel position with the human neuroreceptor taste sites. The pore size distribution (PSD) and the adsorption energy distribution (AED) of human neuroreceptor sites are derived through the selected model to describe porosity and energitical homogeneity of taste adsorbent surface. So, the mutual interaction between molecules of racemic mixture dose-response curves of caffeine and sucrose on human neuroreceptor sites. Firstly, this model is used to analyze the taste-taste interaction mechanism of the mixture of bitter caffeine-sweet sucrose taste. Secondly, all these stereo and energetical parameters will be used for an objective description of the taste of the mixture of caffeine-sucrose molecules in the intense and qualitative aspects of the taste of the mixture.

Statistical physics modeling of the removal of Resorcinol from aqueous effluents by activated carbon from avocado seeds

The adsorption isotherms of Resorcinol (RES) on activated carbon from avocado seeds (ASAC) at different temperatures were interpreted using a double layer model with two energies. The formulation of this model was established by a statistical physics treatment. Steric and energetic parameters related to the adsorption process have been considered. In addition, PSD and AED are determined from the expression of the adsorbed quantity Q. According to our detailed study the double layer model with two energies is the best fitting model. The estimated values of the adsorption energies indicated that the Resorcinol is physiosorbed. The theoretical expressions provide a good understanding and interpretation of the adsorption isotherms at the microscopic level. ASAC is macroporous since the size of the activated pores is between 60 nm and 80 nm. Moreover, we underline the fact that an increase in temperature implies a considerable increase in AED and a slight translation towards the lowest energies. Our results indicated that for working at high temperature represents the best efficiency of wastewater depollution. This work contributed to new theoretical insights on the resorcinol adsorption.

Thermodynamic analysis of cooling cycles based on statistical physics modeling of ethanol adsorption isotherms

Thermodynamic analysis of two different adsorption cooling cycles was presented; the first cycle is based on an isobaric adsorption process and the second one projects an isothermal adsorption instead of an isobaric adsorption. These cooling cycles are carried out by employing the grand canonical ensemble of the statistical physics formalism. This investigation is done for two different adsorbate/adsorbent pairs i.e. Ethanol/Waste Palm Trunk (WPT-AC) and Ethanol/Mangrove wood (M-AC). The corresponding adsorption isotherms have been fitted by statistical physics models to give a description of the adsorption process through interpretations of the evolution of the involved physico-chemical parameters, specific for this process. The results showed that the ethanol molecules have been mainly adsorbed with a multimolecular process and non-parallel to the adsorbent surface involving an aggregation process before molecules adsorption. Their adsorption energies are varying from 1.40 to 3.64 kJ/mol for WPT-AC and from 3.2 to 3.81 kJ/mol for the M-AC. These values reflected a physisorption process. The calculated internal energy values suggested the exothermicity and the spontaneity of the ethanol adsorption process. The investigation aims providing a methodology of calculation of the COP for an adsorption cooling cycle by using the statistical physics treatment. The entropy and the enthalpy functions are calculated and used to perform the thermodynamic evaluation and to calculate the coefficient of performance (COP). This parameter was found to be in the interval [0.12–0.69] for ethanol/WPT-AC and [0.11-0.6] for ethanol/M-AC for the first cycle and for the second cycle [0.15-0.81] and [0.15-0.74] respectively.

Statistical physics treatment of tetracycline adsorption: energetic studies

Statistical physics treatment of tetracycline adsorption: energetic studies

Adsorption of methyl orange, acid chrome blue K, and Congo red dyes on MIL-101-NH2 adsorbent: Analytical interpretation via advanced model

A synthesized MIL-101-NH2 has been used as an adsorbent to analyze Congo red (CR), methyl orange (MO), and acid chrome blue K (AC) dye adsorption phenomena. This investigation, based on statistical physics treatment, applied the double layer model with two energies to understand dye adsorption on three samples, namely, MIL-101-NH2-1, MIL-101-NH2-2, and MIL-101-NH2-3, at T = 298 K. Modeling results indicated that dye adsorption occurred via a mixed adsorption orientation for CR and MO dyes and a non-parallel orientation for AC dye on the MIL-101-NH2 surface. Dye uptake quantities varied from 2534.4 to 3440 mg/g for CR dye, 240.4 to 490.8 mg/g for MO dye, and 277 to 293 mg/g for AC dye. Thus, the highest adsorption amount appeared in the case of CR dye. Interpretation of the calculated energies showed that adsorption of the dyes on MIL-101-NH2 is a physisorption phenomenon, which could be controlled through energetic parameters obtained via numerical findings using the statistical double layer model. Moreover, the expression of the model is exploited to investigate the thermodynamic functions, such as internal energy.

Adsorption of CO2 on ZSM-5 Zeolite: Analytical Investigation via a Multilayer Statistical Physics Model

In this paper, a synthesized zeolite (ZSM-5) is used as an adsorbent to analyze the adsorption phenomenon of carbon dioxide. This investigation, based on the statistical physics treatment, applied the multilayer model with saturation to understand the CO2 adsorption on four samples, namely M-ZSM-5 (M = Na+, Mg2+, Zn2+, La3+), at various temperatures T = 0 °C, 30 °C and 60 °C. The modeling results indicated that CO2 adsorption occurred via a non-parallel orientation on the ZSM-5 surface. The CO2 adsorption capacities varied from 26.14 to 28.65 cm3/g for Na-ZSM-5, from 25.82 to 27.97 cm3/g for Mg-ZSM-5, from 54.82 to 68.63 cm3/g for La-ZSM-5 and from 56.53 to 74.72 cm3/g for Zn-ZSM-5. Thus, Zn-ZSM-5 exhibits the highest adsorption amount. The analysis of the adsorption energies shows that the adsorption of CO2 on ZSM-5 zeolite is a physisorption phenomenon that could be controlled thanks to the energy parameters obtained via the numerical findings using the multilayer statistical model. Finally, the distribution of site energy was determined to confirm the physical character of the interactions between adsorbate/adsorbent and the heterogeneity of the zeolite surface.

Effective methods for removing different types of dyes – modelling analysis, statistical physics treatment and DFT calculations: a review

Effective methods for removing different types of dyes – modelling analysis, statistical physics treatment and DFT calculations: a review

Steric and energetic characterizations of mouse and human musk receptors activated by nitro musk smelling compounds at molecular level: Statistical physics treatment and molecular docking analysis

Understanding olfaction process at a microscopic or molecular level needs more elucidation of the multiple stages involved in the olfaction mechanism. A worth full elucidation and a better understanding of this molecular mechanism, a necessary preamble should be achieved. The content of this work is a preamble for that. A study of the mouse and human olfactory receptors activation in response to two nitro musks stimuli, which are the musk xylol and the musk ketone, are considered here, first, for their wide expanded use in perfumery, but also to show some particular aspects of this process in the case of these two stimuli, which could help to deduce more details and more general aspects in the global olfactory mechanism. A statistical physics modeling using the monolayer model with two independent types of receptor binding sites of the response of the mouse olfactory receptor MOR215-1 and the human olfactory receptor OR5AN1, which are identified as specifically responding to musk compounds, is used to characterize the interaction between the two nitro musk molecules, the mouse and the human olfactory receptors and to determine the olfactory band of these two odorants through the determination of the molar adsorption energies and the adsorption energy distributions. The physico-chemical model parameters can be used for the steric characterization via the calculation of the receptor site size distributions.The docking computation between these two nitro musks and the human olfactory receptor OR5AN1 is performed demonstrating a large similarity in receptor-ligand detection process. Thus, docking finding results prove that the calculated binding affinities were belonging to the spectrum of adsorption energies.

Water vapor molecule adsorption onto 'Ajwa' dates: Analytical investigation via infinite multilayer statistical physics model

A gravimetric technique was used to examine the water activity onto the ‘Ajwa’ dates. The equilibrium adsorption isotherms of water molecules were carried out at three temperatures (between 303 K and 323 K). A theoretical method was developed using statistical physics treatment to describe the experimental data at the ionic scale. The date’s isotherms were analyzed via the infinite multilayer adsorption model (formation of a high number of adsorbed layers) which is established based on the ideal gas law (there are no lateral interactions influences on the adsorption mechanism). The chosen model gave significant interpretation of the adsorption of water on the Ajwa dates based on the physicochemical model’s parameters (the density of binding sites (D m ), the number of water molecules per site (n) and the energetic parameters (a 1 ) and (a 2 )). The physicochemical interpretation of the appropriate model indicated that the adsorption of water on the Ajwa dates occurred via a multi-anchorage process since the n values are lower than 1 for the three tested temperatures. The Ajwa dates adsorption was found typical to an exothermic process by the intermediate of the steric parameter D m (D m (303 K) = 0.58 kg/kg˃ D m (323 K) = 0.33 kg/kg). Moreover, the energies values |−ε 1 | and |−ε 2 |, which varied from 27.8 KJ/mol to 51.2 KJ/mol, confirmed that the ‘Ajwa’ dates adsorption was a chemical process presenting covalent bonds between the water molecules and the dates’ sites.

Advanced interpretation of hydrogen absorption process in LaMgNi3.6M0.4 (M = Ni, Mn, Al, Co, Cu) alloys using statistical physics treatment

To obtain good economic and environmental benefits, LaMgNi3.6M0.4 (M = Al, Mn, Ni, Co, Cu) alloys are investigated for the hydrogen storage. The absorption data of hydrogen in the tested alloys are measured experimentally at 373 K. The hydrogen absorption isotherms are analyzed using three models derived from statistical physics formalism. The adequate model permits to discover significant details about the absorption phenomenon via determining the density of the interstitial sites (Dm), the number of hydrogen atoms per site (n) and the energetic parameter ΔE. The results indicate that multi-atomic (n > 1) and multi-linking (n < 1) phenomena are feasible for hydrogen absorption in LaMgNi3.6M0.4 (M = Al, Mn, Ni, Cu, Co) metals. The effects of the substitutions of Ni with Mn, Co, Cu and Al on the hydrogen absorption capacity are investigated. The interaction hydrogen/metal is analyzed by the calculation of the absorption energies. The chemical interaction is the responsible for the hydrogen absorption phenomenon. The contribution of this work is to provide advanced investigations of the hydrogen absorption mechanism in LaMgNi3.6M0.4 (M = Al, Mn, Ni, Co, Cu) metals, which are promising alloys for the hydrogen storage.

Statistical physics modeling and interpretation of the adsorption of enantiomeric terpenes onto the human olfactory receptor OR1A1

The statistical physics approach has been well studied by our research team for liquid and gaseous adsorption systems. This treatment is based on the grand canonical partition function to give new interpretations of the adsorption process at molecular level for chemical senses: olfaction and taste. This work represents a contribution to understand the olfaction mechanism of four of enantiomeric terpenes by applying a statistical physics treatment that allows giving a physico-chemical meaning to parameters involved in the analytical model. It is possible to estimate the number of adsorbed molecules per site, the anchorage number, the receptor density, the concentration at half saturation and the molar adsorption energy. Through this selection of the best fitting model and through fitted values of these parameters, we showed that the adsorption of carvone and limonene enantiomers is not a multilayer process but a monolayer monosite process (monolayer adsorption model with identical and independent sites (n ≠ 1)). The physico-chemical model parameters can be used for the energetic characterization of the interactions between the carvone and the limonene enantiomers and the human olfactory receptor OR1A1 and the determination of an olfactory band of order of 14 kJ/mol, 7 kJ/mol, 9 kJ/mol, 8 kJ/mol for (R)-(−)-carvone, (S)-(+)-carvone, (R)-(+)-limonene and (S)-(−)-limonene, respectively, through the determination of the adsorption energy values and the adsorption energy distributions (AEDs).Thanks to the grand canonical formalism in statistical physics, the negative values of the Gibbs free enthalpy indicate that the adsorption process of the four enantiomeric terpenes onto the human olfactory receptor OR1A1 was spontaneous. The exothermic adsorption mechanism involved in the olfactory perception was explained via the negative values of the internal energy.

Absorption and desorption of hydrogen in Ti1.02Cr1.1Mn0.3Fe0.6RE0.03: experiments, characterization and analytical interpretation using statistical physics treatment.

In this work, the absorption and desorption isotherms of hydrogen on Ti1.02Cr1.1Mn0.3Fe0.6RE0.03 (RE = La, Ce, Ho) metals were collected at three temperatures under the same experimental conditions. This was carried out in order to determine the rare earth effect on the hydrogen storage performance of the Ti1.02Cr1.1Mn0.3Fe0.6 metal. The equilibrium data showing the hydrogen absorbed/released amounts per unit of absorbent mass have provided useful details to describe the absorption/desorption processes. Indeed, statistical physics formalism is appealing to ascribe advanced interpretations to the complexation mechanism. The physico-chemical parameters included in the model analytical expression are numerically determined from the experimental data fitting. We have found that the model can describe the complexation process through steric parameters such as the site densities (N1m and N2m), the numbers of atoms per site (n1 and n2) and energetic parameters (P1 and P2). The behavior of each parameter is examined in relation to the sorption mechanism. Overall, the energetic interpretation reveals that the desorption and absorption of H-gas in the Ti1.02Cr1.1Mn0.3Fe0.6RE0.03 alloys can be characterized by chemical interactions. In addition, the expression of the appropriate model is exploited to determine the thermodynamic potential functions that describe the absorption phenomenon.

Xenon adsorption isotherms on chabazite. Statistical physics modeling investigation: Adsorption energy and pore size distributions computation

In order to investigate the toxic Xenon removal by an adsorption process on chabazite, the grand canonical formalism of statistical physics has been used. This conducted statistical physics treatment enabled us to draw information about the interactions between Xenon atoms and chabazite surface through the determined physico-chemical parameters. The adsorption energy and pore size distributions have been derived by using an integral expression based on a monolayer model as local isotherm. The fitted values of the steric coefficient showed that one chabazite active site can trap only one Xenon atom. The evaluated densities of receptor sites played an important role in the assess of the adsorption capacity. Ca−CHA sample showed the maximum adsorption capacity (2.36 mmol.g−1). By using the adsorption energy distributions (GD), the physisorbed character of the Xenon adsorption on chabazite samples was brought out. The diversification of the active sites is noticed for all chabazite samples. The highest adsorption energies are observed in the case of the Xenon adsorption on CA−CHA sample. Furthermore, by using the pore size distribution (PSD), the microporous character of all samples (Ca−CHA, Cs−CHA, Li−CHA, K−CHA and Rb−CHA) has been showed. The maximum surface area was found to be 187.23 m2. g−1 for Ca−CHA. The calculated surface tensions are in the range [10.07E-5 N.m−1-13.46E-5 N.m−1]. Finally, by combining the thermodynamical and statistical physics treatments, the chemical potential describing the Xenon adsorption, is calculated at different pressures.

Adsorption of acetylene on exfoliated graphite surface: energetic and stereographic studies by applying statistical physics treatment

ABSTRACT Thermodynamic, energetic, and stereographic parameters controlling the acetylene adsorption on (0001) exfoliated graphite were determined. The results showed that statistical physics model 2 (monolayer with two energies) has the best correlation with the experimental data. The adsorption of acetylene molecules on exfoliated graphite surface is multimolecular adsorption. The adsorption entropies and the Gibbs free enthalpies were determined for temperature ranging from 147.72 K to 161.50 K. The obtained adsorption energy distributions show the same maximum value of 5.6 kJ.mol−1. The stereographic parameters evolution with temperature is related to the two-dimensional (2D) critical temperature, and their values suggest the formation of polyacetylene.