Component Of Free Energy Research Articles

Investigation of the surface properties of dibutyl amine modified poly(styrene) based polymer by inverse gas chromatography method

In the present study, poly(vinyl benzyl chloride) (PVBC) was prepared by the radical polymerization method. Then, PVBC was reacted with dibutyl amine to obtain tertiary amine-modified poly(styrene) based polymer (PVBC-Dibutyl amine) and the resulting polymer was characterized. Surface properties of the polymer were investigated by inverse gas chromatography method at infinite dilution region. For this purpose, the retention diagrams of carefully selected polar and non-polar solvents (probes) on PVBC-Dibutyl amine were obtained over a temperature range from 30 to 50 $$^\circ{\rm C}$$ . By using the diagrams, the dispersive component of the surface free energy of the polymer surface was calculated for the studied temperatures by two different methods. The specific enthalpy of adsorption and the specific component of the adsorption free energy of solvents on PVBC-Dibutyl amine which are adsorption thermodynamic parameters were determined for each solvent used. Using the adsorption data, Lewis acid and Lewis base parameters of PVBC-Dibutyl amine surface were calculated. The obtained parameters reflected that surface of PVBC-Dibutyl amine exhibited a basic behavior. Considering the values in the literature, the effect of dibutyl amine moieties in the structure of poly(styrene) based polymer PVBC-Dibutyl amine on the dispersive surface free energy and acid–base parameters of poly(styrene) was discussed.

Interfacial properties between ionic‐liquid‐based electrolytes and lithium‐ion‐battery separator

AbstractFor lithium salts, ionic liquids (ILs) are promising alternatives to conventional solvents in lithium‐ion batteries (LIBs) due to a more favorable high‐voltage operating window, and due to improved safety through reduction of flammability. Toward better understanding of wetting properties of IL‐based electrolytes on a LIB separator, wetting properties affect electrochemical performance, experimental studies were made to determine the influence of solvent, lithium‐salt type and salt concentration. Surface tensions and advancing contact angles were measured for two pure ILs ([C4C1im][BF4] and [C4C1im][OTf]) and for four IL/alkylcarbonate solvent blends (1:1 mass ratio, [C4C1im][BF4]/PC, [C4C1im][BF4]/DMC, [C4C1im][OTf]/PC, and [C4C1im][OTf]/ DMC) with several concentrations of a lithium salt (LiClO4, LiPF6, and LiTFSI). A significant improvement of wettability of pure ILs was observed by adding DMC, while adding PC with surface tension higher than that of pure ILs is detrimental to wetting behavior. Contact angles decrease by adding LiTFSI but show almost no change upon addition of LiPF6 or LiClO4. Surface tensions follow the same trend as that for contact angles. Incorporation of TFSI− anion gives favorable separator wettability. Estimates were made for interfacial properties of the separator (dispersive and polar components of the surface free energy for solid‐vapor, for liquid–vapor, and for solid–liquid interfacial free energy).

Chemical Modification of Films from Biosynthetic Poly‐3‐Hydroxybutyrate Aimed to Improvement of Their Surface Properties

AbstractFilms from biodegradable poly‐3‐hydroxybutyrate are treated with chemical reagents to improve their hydrophilicity and biocompatibility. Two approaches are tested: a single treatment with alkali, acids, oxidizing or reducing agents, and a step‐by step treatment of the alkali pre‐activated surface of polymer films with bromine water and amino‐compounds (ammonia or triethylamine). The maximal level of hydrophilicity (the lowest water contact angle and the highest polar component of the surface free energy) is registered after a single treatment with NaOH and after the step‐by‐step treatment. These samples also showed the best adhesion of mouse fibroblasts of NIH 3T3 line on the film surface. So, the proposed methods can be used to enhance hydropilicity and biocompatibility of biopolymer surface.

An Experimental Investigation into the Effect of Asphalt Binder Modified with SBR Polymer on the Moisture Susceptibility of Asphalt Mixtures

There are several experimental methods for improving the moisture strength of asphalt mixtures. Utilization of anti-stripping materials is the most prevalent method. In the present paper, the influence of polymer materials on asphalt binder was investigated using repetitive loading test in wet and dry conditions along with thermodynamic parameters based on the Surface Free Energy components of asphalt binder and aggregates. The results obtained from the present study indicated that using Styrene Butadiene Rubber polymer has improved the asphalt mixtures strength against the moisture damage, especially in the specimens made of granite aggregates. Also, Styrene Butadiene Rubber polymer increased the cohesion free energy and reduced the energy released by the system during the stripping event, which represented a decrease in the tendency for stripping. The stripping percentage index, which is obtained by a combination of the results of the repetitive loading test in wet and dry conditions along with the results of thermodynamic parameters, represented that the specimens made of controlled asphalt binder in the loading cycles under wet conditions had a higher stripping rate. It was also concluded that the modulus loss rate in the control asphalt mixtures was faster than the modified specimens.

ACE-2-Derived Biomimetic Peptides for the Inhibition of Spike Protein of SARS-CoV-2.

SARS-CoV-2, a novel coronavirus causing overwhelming death and infection worldwide, has emerged as a pandemic. Compared to its predecessor SARS-CoV, SARS-CoV-2 is more infective for being highly contagious and exhibiting tighter binding with host angiotensin-converting enzyme 2 (hACE-2). The entry of the virus into host cells is mediated by the interaction of its spike protein with hACE-2. Thus, a peptide that has a resemblance to hACE-2 but can overpower the spike protein–hACE-2 interaction will be a potential therapeutic to contain this virus. The non-interacting residues in the receptor-binding domain of hACE-2 have been mutated to generate a library of 136 new peptides. Out of this library, docking and virtual screening discover seven peptides that can exert a stronger interaction with the spike protein than hACE-2. A peptide derived from simultaneous mutation of all the non-interacting residues of hACE-2 yields almost three-fold stronger interaction than hACE-2 and thus turns out here to be the best peptide inhibitor of the novel coronavirus. The binding of the best peptide inhibitor with the spike protein is explored further by molecular dynamics, free energy, and principal component analysis, which demonstrate its efficacy compared to hACE-2. The delivery of the screened inhibitors with nanocarriers like metal–organic frameworks will be worthy of further consideration to boost their efficacy.

Composite materials based on polyacrylamide and gelatin reinforced with polypropylene microfiber

The conditions for preparation of a composite hydrogel based on polyacrylamide and gelatin, which is reinforced with polypropylene microfiber, were determined to increase its strength. The conditions of modification of polypropylene microfiber were established under which its surface is hydrophilized, which was confirmed by a significant increase in the water retention of microfiber by 11.0–15.2 times. Under the same conditions, an increase in the values of the hydrogen component of free surface energy on planar samples of polypropylene was observed (from 2.81.0 mN m–1 to 29.81.0 mN m–1). Optimal conditions (minimum limits of component concentrations, temperature range, and pH of a medium) were determined, under which a hydrogel based on polyacrylamide and gelatin with satisfactory physicochemical and mechanical properties can be formed. A composite hydrogel, based on polyacrylamide and gelatin reinforced with modified polypropylene microfiber, was prepared. It was found that the introduction of modified microfiber increases the limits of the beginning of destruction from 20–30 to 130 kPa. The results of the investigation of the drug release from the hydrogel indicated that the obtained composites can be used as matrices to create a hydrogel therapeutic bandages with the function of prolonged drug delivery.

Assessing the surface free energy of modified asphalt binder with image processing technique

When the asphalt binder does not comply with the required specification for pavement, the suggested remedy is the implication of modifiers to enhance the quality. In the present investigation, asphalt cement binder was modified with varying percentages of two types of modifiers, Sulfur (3, 5, 7, and 10) % and Carbon Black (5, 10, and 15) % by weight of asphalt cement. The image processing technique was implemented to evaluate the surface free energy components (dynamic and static contact angles) of the treated asphalt cement by implementing the sessile drop and Wilhelmy plate techniques. The aim of this investigation is to assess how the image processing can detect the variation in the adhesive properties through the assessment of surface free energy of the asphalt cement due to the addition of the modifiers. For the comparison process, the surface free energy components of the control asphalt are also determined. Considering the test result obtained, it was concluded that Carbon black is more appropriate additive, it gives an ultimate total surface free energy increment of (7.7 and 6) % as compared with (2.8 and 3.1) % for sulfur when Sessile drop and Wilhelmy plate methods are implemented respectively when compared with the control binder.

Physicochemical and magnetic properties of functionalized lanthanide oxides with enhanced hydrophobicity

According to the developed bioinspired method in the one-step procedure, the material with the petal effect was switched to lotus one. Therefore, highly hydrophobic and super-hydrophobic materials with tunable adhesive properties and fractal-like structures were successfully produced with high efficiency (67–84%). The work's essence was to modify chemically selected powders of lanthanide oxides (CeO2, Pr6O11, Nd2O3, and Gd2O3). High effectiveness of the functionalization process with 1H,1H,2H,2H-perfluorooctyltriethoxysilane (FC6) and n-octyltriethoxysilane (C6) was proven by various techniques, e.g. XPS, HR-TEM, ATR, XRD, zeta potential. Materials with water contact angle between 143.6° (CeO2-C6) and 175.5° (Nd2O3-FC6) with thermally stable nanolayer (up to 380 °C) were generated. Surfaces functionalized with FC6 possessed a polar component of surface free energy (SFE) close to zero. Water behavior in contact with the modified materials was studied, taking into consideration the unique electron structure of lanthanides assessed by goniometric measurement, also adhesion and spreading pressure were determined. Very low adhesion and polar SFE partly resulted in immediate bouncing of water droplet upon contact with the modified surface. The presented method allows preparing stable materials with a high potential in materials chemistry and modulation of surface features and engineering (e.g. heat transfer fluids, specific coating).

Layer-by-Layer Growth Control of Metal–Organic Framework Thin Films Assembled on Polymer Films

We demonstrate growth control of Cu-based metal-organic framework (MOF) (HKUST-1) thin films assembled by the layer-by-layer technique on polymer films. The crystallinity and crystal face of MOF thin films were found to be controlled by reaction sites in polymer films such as hydroxy groups (the (100) crystal face), carbonyl groups (the (111) crystal face), and amide groups (the (100) crystal face). The HKUST-1 film growth amount is highly correlated with the polar component of the surface free energy, indicating that polymer sites, which afford hydrogen and coordination bonding, are important for the initial adsorption of Cu complexes. We also demonstrated a resistive switching device application using an HKUST-1 thin film on the poly(vinyl alcohol) dip-coated film at 40 deposition cycles, which suggests that the HKUST-1 thin film serves as a resistive switching layer with good film formation capability.

Eco-friendly PDLC composites based on chitosan and cholesteryl acetate

A series of five eco-friendly PDLC composite films based on cholesteryl acetate liquid crystal and chitosan were obtained and characterized. The resulted composites were evaluated in terms of structure and morphology by FTIR and RAMAN spectroscopy and scanning electron microscopy, while their thermotropic behavior was evaluated by polarized optical microscopy and differential scanning calorimetry. Moreover, the contact angle and surface free energy components were measured and calculated. All the data revealed that chitosan, through the presence of hydroxyl, amine, and amide groups in its structure, has the ability to constrain the cholesteryl acetate liquid crystal to grow as radial droplets, perturbing its supramolecular chiral ordering. The size of the droplets and their density depended on the mass ratio between the polymer and the liquid crystal almost in all cases, the micrometric droplets having diameter from 5 to 8 μm, sizes which are the most recommended for optoelectronic applications. By changing the mass ratio between the components, PDLC composites with different hydrophobicity were obtained, consequence of both, their chemical composition and their geometrical microstructure of their surface.

Epoxidised natural rubber as adhesion promoter in natural rubber based compounds

Natural rubber (NR) is the most preferred raw material for both tyre and non-tyre applications, which require good adhesion performance. It has a naturally sticky character to provide green tack. However, it has limitations to improve adhesion further due to its relatively low reactivity. In this study, epoxidised natural rubber (ENR) has been evaluated as an adhesion promoter for NR based model tyre compounds. ENR based adhesive compounds were prepared by blending NR with ENR in various ratios. Rheological, physical, and mechanical properties of NR/ENR compounds were studied. Sufficient cure rate and cure extent were achieved for elevated curing temperatures. The adhesion performance was measured with the T-peel adhesion test. In addition, thermodynamic work of adhesion (TWA) was calculated by using the surface free energy components of the compounds. The correlation between adhesion force and TWA was evaluated together with vulcanisation kinetic parameters in order to understand the adhesion mechanism. ENR incorporation was found to improve adhesion between selected tyre compounds, remarkably.

Synthesis of segmented polyurethanes containing different oligo segments: Experimental and computational approach

Incorporation of hydrophilic and hydrophobic agents into a polymer backbone is an effective approach to control its interfacial characteristics. Segmented polyurethanes (PUs) are easy-fabricating and cost-effective candidates in this respect. In this work, we have synthesized polycarbonate (PC)-based PUs containing hydrophilic Polyethylene glycol (PEG) and hydrophobic Polyhedral Oligomeric Silsesquioxane (POSS) in the lab as well as in molecular dynamics simulations. We employed several experimental techniques and a coarse-grained (CG) molecular dynamics (MD) method to evaluate the morphology and microphase arrangement of PUs. We successfully synthesized superior hydrophilic and hydrophobic coatings by replacing some parts of the soft segment (PC) with PEG and the chain extender (1,4-butandiol) with POSS, respectively. Our CG MD simulations showed that POSS is dispersed in PC uniformly, while PEG is completely phase separated from PC and formed a lamellar structure. This was also confirmed by experimental thermal analysis. Eventually, water contact angle (WCA) measurements proved development of very hydrophilic (PU-PEG), slightly hydrophilic (PU), and very hydrophobic (PU-POSS) coatings. The surface free energy analysis indicated that POSS decreases polar and apolar components of surface free energy, while PU-PEG exhibits omniphilic behavior. The presence of PEG and POSS on the surface was also confirmed by contact angle and AFM measurements. According to MTT and LDH assays, PEG and POSS incorporation significantly enhanced the biocompatibility of PU such that PU-PEG and PU-POSS coatings become prospective candidates for biomedical applications.

The Effect of Silicate Fillers on Adhesion and Adhesion Strength Properties of Water-Based Coatings

The properties of coatings largely depend on the nature of the interaction of the film material with the substrate – the type of bonds between them. The degree of this interaction, associated with the nature of the paint and varnish material, mineral fillers and the nature of the surface to be protected, may be a criterion for evaluating the protective and operational properties. Therefore, an urgent scientific and practical task is to study the silicate fillers effect on the nature of adhesive interactions at the interface of water-based coatings with a steel substrate and to establish the relationship of adhesion strength properties with the thermodynamic adhesion work. It is shown that the adhesion strength in the paint systems for steel is significantly affected by the thermodynamic adhesion work, in which the dispersed component of the surface free energy makes the greatest contribution when the degree of filler content changes.

Deposition, morphology and functional properties of layers based on DLC:Si and DLC:N on polyurethane

DLC:Si and DLC:N (diamond-like carbons doped with Si or N) functional layers in different configurations are deposited on polyurethane (PU) for bioengineering applications using CCP (capacitively coupled plasma) discharge generated in the PE CVD (plasma-enhanced chemical vapor deposition) system. Scanning electron microscopy (SEM) observations show that the obtained single and multilayers are continuous and well adherent to the substrates, but they differ in surface morphologies. DLC:Si layers form granular-like outer surfaces, while DLC:N ones a mosaic structure of plain areas. Topography analyses by atomic force microscopy (AFM) and optical profilometry reveal that Si-doped layers are characterized by significantly higher surface roughness (Ra ca. 5 nm) in comparison to N-doped layers (Ra ca. 0.3 nm) and also higher values of profile roughness parameter Rz (up to 32 μm vs. about 13 μm). Energy-dispersive X-ray spectroscopy (EDS) analysis indicates the homogenous chemical composition of the layers. DLC:N layers, are characterized by significantly higher polar component of surface free energy (up to ca. 5.0 mJ/m2). DLC:Si layers exhibit higher values of diiodomethane contact angle (up to ca. 90°) compared with DLC:N layers (up to ca. 55°). The attenuated total reflectance Fourier transform infrared spectroscopic measurements (ATR-FTIR) of the layers reveal that the addition of silicon to the DLC structure increases the content of terminal CHn bonds (n = 1, 2, 3) as well as beneficial Si–H and Si–CHn bonds, which significantly reduce the internal stresses in the layers. Both DLC:Si and DLC:N layers exhibit no cytotoxic effects using the human osteoblast-like cell line and human keratinocytes.

Prediction and pareto-based multi-objective optimization of moisture and fatigue damages of asphalt mixtures modified with nano hydrated lime

Moisture sensitivity can lead to damages due to adhesion and cohesion in asphalt mixtures that cause serious damages to the pavement. Adhesion between bitumen and aggregate is a basic prerequisite for the proper performance of asphalt mixtures. The role of nano hydrated lime (NHL) as an anti-stripping agent has been extensively studied in asphalt pavements. In this study, in addition to investigating the effect of NHL as bitumen modifier on moisture and fatigue damages, and bitumen-aggregate adhesion and bitumen membrane cohesion using surface free energy (SFE) concept, the prediction model to achieve optimal additive percentage with two objectives of moisture sensitivity and fatigue failure by multivariate regression (MVR), group method of data handling (GMDH) and genetic programming (GP) were provided. By the use of the modified non-dominated sorting genetic algorithm II (NSGA-II) approach, Pareto fronts were then plotted. In addition, boiling water testing was applied to examine the sensitivity of mixtures to moisture. To simulate environmental conditions, asphalt mixtures were placed in freeze–thaw (F-T) cycles of 1, 3 and 5. 85–100 penetration grade base bitumen was modified with 0.5%, 1% and 1.5% NHL (by the weight of bitumen). The results indicated that by decreasing the number of yellow pixels in the image processing of modified mixtures with NHL, modification of bitumens decreased the moisture sensitivity of specimens. Using NHL increased the resistance of the specimens to moisture and fatigue damages. The amount of indirect tensile strength (ITS) and fatigue life of asphalt mixtures reduced by rising the number of F-T cycles. The highest increase in ITS and fatigue life was obvious in modified mixtures with 1.5% and 1% NHL, respectively. The results of calculating the surface free energy (SFE) components of the base and modified bitumens showed that using NHL enhanced the total SFE amount of bitumens. Also, using the NHL increased cohesion free energy (CFE), adhesion free energy (AFE) and debonding energy (DE) of modified bitumens and decreased the permeability of asphalt mixtures (PAMs) amount. Among the various methods, the GMDH method had the highest R2. So that the R2 value of GMDH for tensile strength ratio (TSR) and the ratio of fatigue life (NFR) was 93.9% and 86.9%, respectively. The two-objective optimization results indicated that 1.29% NHL was the best optimal amount to maximize the TSR and NFR values simultaneously.

Hydrophobicity and surface free energy to assess spent coffee grounds as soil amendment. Relationships with soil quality

The aim of this work was to evaluate the effects of spent coffee grounds (SCG), a highly hydrophobic raw material, on the hydrophobicity of two Mediterranean agricultural soils. Physical, chemical, mineralogical and biological soil properties, most of them used to evaluate soil quality, were studied and related to the main hydrophobicity parameters. The in vitro assay was performed with two SCG doses (2.5 and 10%), two soils and two incubation times (30 and 60 days). Hydrophobicity was determined by the water drop penetration time test (WDPT), the contact angle (CA) with H2O, formamide and diiodomethane, and the surface free energy components (SFE) calculated using the Van Oss model. The addition of SCG increased the WDPT, CA and SFE, being the latter which was related to a greater number of soil quality variables. Hydrophobicity was related to lower humus quality index (HQI), and a higher proportion of labile organic matter, as shown by Infrared and UV–vis spectroscopy. An increase in hydrophobicity was related to an improvement of soil physical quality: a high aggregate stability index, saturated hydraulic conductivity, porosity (total and macro), water retention, and a less bulk density. The most critical effect related to the increase in hydrophobicity was the significant decrease in the available water content. The SEM images showed a greater occlusion and stabilization mechanism of the SCG particles incorporated in Vega soil, probably due to its higher content of smectite and carbonates. The appearance of fungal biomineralizations of calcium carbonate is associated with SCG addition and could be considered as an interesting and little studied process of inorganic carbon fixation and secuestration. These results showed that hydrophobicity can afford relevant information that can help to asses soil quality status after an amendment with SCG.

Transition in the Acid–Base Component of Surface Free Energy of Ice upon the Premelting of Its Second Molecular Bilayer

Molecular disordering of the ice surface occurs below the bulk melting temperature of 273 K, termed surface premelting. The top-most molecular layer begins gradually premelting at 200 K, and has been linked to its low coefficient of friction through an increase in molecular mobility. The second molecular bilayer premelts around 257 K, but no study has linked this transition to a change in any macroscopic phenomena. Here, we show that the thermodynamic work of adhesion between polydimethylsiloxane (PDMS) and ice changes abruptly at 257.0 $\pm$ 0.1 K. Surface-sensitive sum frequency generation spectroscopy shows that there are no molecular level changes at the PDMS surface or the ice-PDMS interface near the transition in adhesion, indicating that the transition arises from changes of the ice surface. Using existing contact angle data in the literature, we show that this transition is due to a decrease in the acid-base component of the surface free energy of ice by 17 $\pm$ 2 mJ/m$^2$ at 257.0 $\pm$ 0.1 K. The change in surface energy provides a possible explanation for a variety of unexplained phenomena seen across the literature including ice adhesion, friction, and the morphology of snowflakes.

Hygroscopic property of biofuel obtained by torrefaction of wood in a quiescent layer of bentonite

Torrefaction is widely employed to improve the characteristics of wood for using it as a fuel. One of the possible ways of torrefaction is heating of biomass in a quiescent layer of mineral filler. In this paper the effect of the parameters of the torrefaction process in a quiescent bentonite layer on the hydrophobization of wood (pine, oak, poplar, and rowan tree) is experimentally studied. The hydrophobic properties of biofuels are evaluated by measuring the contact angle. However, the value of this parameter for biofuel depends not only on the hydrophobicity of the surface but also on its porosity. Therefore, the value of the contact angle for a smooth surface was estimated by using the method proposed by Liptakova and Kudela. It is found that torrefied pine has the largest hydrophobicity in comparison with oak, poplar, and rowan tree. The hydrophobicity of biofuel increases with the torrefaction temperature and holding time and decreases with the height of the bentonite layer in the reactor. The contact angle depends on the mass yield as [contactangle]o=316-549∙massyield+289∙massyield2. The hydrophobicity of biofuels increases as the content of oxidized compounds becomes higher. The surface free energy is estimated by using the Owens-Wendt method. It is demonstrated that the dispersive component of surface free energy rises, while a polar component decreases in the process of torrefaction. The critical surface energy is estimated via Zisman method. It is established that after torrefaction its value increases with the decrease in the height of mineral layer.

Stability of ferroelectric and antiferroelectric hafnium–zirconium oxide thin films

Hafnium–zirconium oxide (HZO) thin films are of interest due to their ability to form ferroelectric (FE) and antiferroelectric (AFE) oxide phases. Density functional theory is employed to elucidate the stabilization mechanisms of both FE HZO thin films and AFE ZrO2 films. The FE orthorhombic phase is primarily stabilized by in-plane tensile strain, which spontaneously occurs during the synthesis process, and this is more effective for HZO than HfO2. Layer-by-layer stack models and core-matrix three-dimensional models of the polymorphs reveal that the electrostatic component of interfacial free energy can play a critical role in the formation of the AFE tetragonal phase in ZrO2 and the “wake-up” effect for FE HZO.

Predictive model of modified asphalt mixtures with nano hydrated lime to increase resistance to moisture and fatigue damages by the use of deicing agents

Deicing agents are used to dissolving the frost on road surfaces in winter and cold areas. Researchers have evaluated the impact of different deicing agents on the moisture susceptibility performance of asphalt mixtures, but they have not investigated the effect of these agents on fatigue failure and thermodynamic parameters of asphalt mixtures. Therefore, in this research, by investigating the effect of two new deicing agents of calcium magnesium acetate (CMA) and potassium acetate (PA) as well as sodium chloride (NaCl) traditional agent on moisture and fatigue performances of asphalt mixtures, predictive model of the tensile strength ratio (TSR) and the fatigue life ratio (NFR) using genetic programming (GP) based on the surface free energy (SFE) components and other properties of asphalt mixtures were presented. Nano hydrated lime (NHL) was applied as an asphalt binder modifier and an anti-stripping agent to improve the strength of asphalt mixtures. The results indicated that the saturated mixtures in CMA had the highest indirect tensile strength (ITS) and fatigue life in lower freeze-thaw cycles, while the NaCl-saturated samples had more ITS and fatigue life in higher cycles. The CMA-saturated samples had the greatest TSR and NFR. Using NHL in all saturated samples resulted in increasing TSR and NFR values. Results of SFE method showed that using NHL increased the polar, non-polar and basic components of asphalt binders and decreased their acidic components. Also, using NHL increased the total SFE amount of asphalt binder, enhancing the adhesion of aggregate and asphalt binder and cohesion in asphalt binder membrane, and as a result, improving the moisture resistance in asphalt mixtures. Using 1.5% NHL had the greatest effect on improving adhesion free energy (AFE), cohesion free energy (CFE) and detachment energy (DE). Among deicing solutions, CMA had the highest CFE, in general, and NaCl had the best DE values. PA-saturated samples had the greatest permeability of asphalt mixture (PAM) values. GP model had a high R2 96.4% and 98.3% for TSR and NFR, respectively. Using GP model to achieve the maximum TSR and NFR, the Pareto curve showed that 1.32% NHL was the optimum value for simultaneously increasing moisture resistance and fatigue life.