Hot Solvent Research Articles

One-step preparation of orange-red Emitting carbon dots for visual detection of copper ions in the water environment

In this study, p-aminophenol and o-phenylenediamine were used as materials in a straightforward one-step hot solvent approach for generating a nitrogen-doped carbon dot. Fourier Transform Infrared Spectroscopy (FT-IR), Transmission Electron Microscopy (TEM), Scanning Electron Microscopy (SEM), X-ray Diffraction (XRD), and UV–Vis analysis were used to analyze the resultant CDs composites. Furthermore, fluorescence and absorption spectroscopy were used to assess the optical characteristics. Following the addition of Cu2+, CDs’ fluorescence was quenched statically, resulting in the formation of a non-fluorescent complex. Based on this, a highly selective fluorescent technique was developed with a detection limit of 2.71 μM and a relevant linear range of 10–100 μM for Cu2+. More convenient to carry and detect sodium alginate gel beads doped with carbon dots were prepared for visual detection of Cu2+. Using this method, Cu2+ ions from various environmental sources can be detected rapidly, cheaply, environmentally friendly, and selectively.

Application of poly(3,4-ethylenedioxythiophene):poly(styrene sulfonate) based on multiple treatments with hot alcohol solvents in organic solar cells

Poly(3,4-ethylenedioxythiophene):poly(styrene sulfonate) (PEDOT:PSS) materials are widely used to replace common indium tin oxide (ITO) transparent electrodes. However, the conductivity of untreated PEDOT:PSS is unsatisfactory. Thus, enhancing the conductivity of PEDOT:PSS has become an urgent task. In this study, we use hot methanol, 2-methoxyethanol, and ethanol to treat PEDOT:PSS films and explore the effect of multiple treatments with hot alcohol solvents on the electrical conductivity of the films. Results show that the conductivity of the PEDOT:PSS films gradually were increased to 2538 S cm−1, 2273 S cm−1 and 1361 S cm−1 after in the number of treatments using methanol, 2-methoxyethanol and ethanol, respectively. The measurement of absorption for the PEDOT:PSS films before and after treatment revealed that the nonconducting PSS components were effectively removed from the PEDOT:PSS materials using the hot alcohol solvent treatment, which led to the exposure of the PEDOT chains to induce the formation of polaritons (PEDOT+) or bipolaritons (PEDOT2+) and thus enhanced the conductivity of the films. The figure of merit (FoM) values after six times treatments with methanol and 2-methoxyethanol were as high as 56.87 and 51.61, respectively. The FoM of ethanol was 33.58, which did not meet the minimum criteria for commercial application. PEDOT:PSS films treated using methanol and 2-methoxyethanol were applied as transparent electrodes in organic solar cells with power conversion efficiency values of 2.14% and 2.05%, respectively, which reached 87.35% and 83.67% for ITO-based transparent electrodes (2.45% for pure ITO).

Achieving High-Performance Polymer-Wrapper-Free Aligned Carbon Nanotube Field-Effect Transistors Through Degradable Polymer Wrapping and Efficient Removal Techniques.

Semiconducting carbon nanotubes (s-CNTs) have emerged as a promising alternative to traditional silicon for ultrascaled field-effect transistors (FETs), owing to their exceptional properties. Aligned s-CNTs (A-CNTs) are particularly favored for practical applications due to their ability to provide higher driving current and lower contact resistance compared with individual s-CNTs or random networks. Achieving high-semiconducting-purity A-CNTs typically involves conjugated polymer wrapping for selective separation of s-CNTs, followed by self-assembly techniques. However, the presence of the polymer wrapper on A-CNTs can adversely impact electrical contact, gating efficiency, carrier transport, and device-to-device variations, necessitating its complete removal. While various methods have been explored for polymer removal, accurately characterizing the extent of removal remains a challenge. Traditional techniques such as absorption spectroscopy and X-ray photoelectron spectroscopy (XPS) may not accurately depict the remaining polymer content on A-CNTs due to their inherent detection limits. Consequently, the performance of FETs based on pure polymer-wrapper-free A-CNTs is unclear. In this study, we present an approach for preparing high-semiconducting-purity and polymer-wrapper-free A-CNTs using poly[(9,9-dioctylfluorenyl-2,7-dinitrilomethine)-(9,9-dioctylfluorenyl-2,7-dimethine)] (PFO-N-PFO), a degradable polymer, in conjunction with a modified dimension-limited self-alignment process (m-DLSA). Comprehensive transmission electron microscopy (TEM) characterizations, complemented by absorption and XPS characterizations, provide robust evidence of the successful near-complete removal of the polymer wrapper via a cleaning procedure involving acidic degradation, hot solvent rinsing, and vacuum annealing. Furthermore, top-gated FETs based on these high-semiconducting-purity and polymer-wrapper-free A-CNTs exhibit good performance metrics, including an on-current (Ion) of 2.2 mA/μm, peak transconductance (gm) of 1.1 mS/μm, low contact resistance (Rc) of 191 Ω·μm, and negligible hysteresis, representing a significant advancement in the CNT-based FET technology.

Highly selective rearrangement of β-epoxypinane to perillyl alcohol by ammonium phosphomolybdate bonded on activated carbon

The selective rearrangement of β-epoxypinane is a crucial step in the synthesis of perilla alcohol from inexpensive and readily available turpentine oil. The supported ammonium phosphomolybdate was prepared by chemical adsorption of phosphomolybdate on imidazolated activated carbon and then by ammonia fumigation, which has excellent catalytic performance in the rearrangement of β-epoxypinane to produce perillyl alcohol under mild conditions. The conversion of β-epoxypinane was nearly complete, and the selectivity of perillyl alcohol was as high as 77% in nitromethane at 80 °C for 80 min. The catalyst can be recycled after being washed in hot solvent.

The methods for improving the biodegradability of oily sludge: a critical review.

Biological degradation method, as an environmentally friendly, low-carbon, and clean pollution treatment technology, is widely used for the harmless disposal of oily sludge. The biodegradability of oily sludge with stable emulsification system, high oil, and water content is poor. Therefore, it is necessary to pre-treat the oily sludge to improve its biodegradability, including recover the petroleum resources and remove heavy metals and bio-toxic organic matters. This review systematically summarizes five oily sludge treatment methods and their influences on sludge biodegradability, including pyrolysis, chemical hot washing, solvent extraction, chemical oxidation, and hydrothermal. Pyrolysis at temperatures above 750 °C produces high molecular weight polycyclic aromatic hydrocarbons, chemical hot washing and chemical oxidation would cause secondary pollution, solvent extraction method could not be applied due to the high cost and high toxicity of the extractant, and the oil removal of hydrothermal method is inefficient. Additionally, the principles, advantages, and disadvantages of those treatments and the factors affecting microbial degradation were analyzed, which provide the development direction of pretreatment technology to improve the biodegradability of oily sludge.

Bulk Nanobubbles through Gas Supersaturation Originated by Hot and Cold Solvent Mixing.

The nucleation mechanism of bulk nanobubbles remains unclear despite the considerable attention they have received in recent years. We propose two hypotheses: (i) The gas supersaturation in the bulk liquid is the primary factor for nanobubble nucleation, and (ii) the mixing of the same solvent at varying gas solubilities should produce nanobubbles, provided that the first hypothesis is correct. To test this hypothesis, we performed extensive experiments on nanobubble nucleation in both water and organic solvents. The temperature difference between hot and cold samples ranged from 10 to 80 °C in pure solvents such as water, methanol, ethanol, propanol, and butanol prepared and mixed in equal proportions. To the best of our knowledge, we report bulk nanobubble nucleation by mixing hot and cold solvents for the first time. The refractive index value calculations using Mie scattering theory confirmed the existence of nanobubbles. When surface tension dominates over surface charge, the critical work for nanobubble formation is ΔFc ∝ 1/ξ2, and when surface charge dominates over surface tension, the critical work is ΔFc ∝ ξ1/4. Our experimental results verify such dependency by measuring nanobubbles nucleated with varying degrees of gas supersaturation.

Explosive Leidenfrost-Droplet-Mediated Synthesis of Monodispersed High-Entropy-Alloy Nanoparticles for Electrocatalysis.

High-entropy-alloy nanoparticles (HEA NPs) exhibit promising potential in various catalytic applications, yet a robust synthesis strategy has been elusive. Here, we introduce a straightforward and universal method, involving the microexplosion of Leidenfrost droplets housing carbon black and metal salt precursors, to fabricate PtRhPdIrRu HEA NPs with a size of ∼2.3 nm. The accumulated pressure within the Leidenfrost droplet triggers an intense explosion within milliseconds, propelling the carbon support and metal salt rapidly into the hot solvent through explosive force. The exceptionally quick temperature rise ensures the coreduction of metal salts, and the dilute local concentration of metal ions limits the final size of the HEA NPs. Additionally, the explosion process can be fine-tuned by selecting different solvents, enabling the harvesting of diverse HEA NPs with superior electrocatalytic activity for alcohol electrooxidation and hydrogen electrocatalysis compared to commercial Pt (Pd) unitary catalysts.

Solution-Processed One-Dimensional Photonic Crystals Based on Hollow Silica Exhibiting High Refractive Index Contrast.

Poor interfacial quality and low refractive index contrast (Δn) are critical challenges for the development of high-performance one-dimensional photonic crystals (1DPhCs) via solution methods that impede their optical efficiency. Herein, we introduce an innovative approach by hybridizing hollow SiO2 with poly(vinyl alcohol), referred to as PHS, followed by alternate assembly with TiO2 via spin-coating, achieving a 1DPhC with Δn = 0.76 at the wavelength of 550 nm. This method circumvents the need for high-temperature treatment and complex curing conditions, resulting in a 1DPhC with superior interfacial and optical characteristics. By adjusting the thickness of the PHS layers, we can finely tune the reflectance spectrum, attaining over 99% reflectance at the photonic band gap. Furthermore, 1DPhC demonstrates excellent adhesion to polycarbonate substrates and retains its optimal optical performance even after rigorous environmental testing, including hygrothermal cycles, exposure to hot water, friction, and solvent sonication. This research paves the way for the facile fabrication of high-performance 1DPhCs under mild conditions, offering new perspectives for photonic material processing.

Recycling of expired cow milk for constructing multifunctional biomass nonfluorinated chromatic paint with superhydrophobicity

Through denaturation and amination of the mixture, consisted of expired cow milk, kaolin and gardenia yellow, in the hot organic solvent that contained alkaline aminosilane coupling agent, then adsorption of diverse acid dyes in the acid condition, thus obtaining active matrixes with different colors. By virtue of the non-catalyzed in-situ reaction among the acrylate groups of pentaerythritol ester compounds and the amino groups of obtained matrixes as well as long-chain alkyl amines, the biomass fluoride-free superhydrophobic doped paints was prepared, however the poor stability was reflected in its anti-wetting coating surface. Furthermore, in order to improve durable superhydrophobicity and multifunctionality of the expired cow milk-based water-repellent paint, the thermally denatured protein, originated from expired cow milk heating, was blended with nanoscale inorganic pigments to accept the before-mentioned procedures of amination and in-situ growth, consequently constructing the multifunctional biomass nonfluorinated chromatic paint with robust superhydrophobic function, moreover its coated fabrics had 155.7° of average contact angle and 1.5° of average sliding angle. Additionally, by only using synergy of complex denaturation and chemical coupling, the expired cow milk could be transformed into UV-photoluminescent nonfluorinated superhydrophobic color paint, the contact angle of such paint-coated fabric was 153.3° and its sliding angle was 2°. Based on the additional function of as-prepared biomass paints, the applications of non-wetted switchable fluorescence imaging as well as photothermal deicing were realized. We believe that the expired cow milk-based multifunctional paints can expand into the fields of outdoor protective textiles, decorative building materials, fluorescent falsification-preventing and ice protection.

In Situ Synthesis of an Epoxy Resin Microwave Absorption Coating with Anti-Ultraviolet Aging Effects

A nanoparticle-anchored three-dimensional microsphere flower-structured layered double hydroxide (LDH) material with Fe3O4 particles was successfully prepared using simple hydrothermal and hot solvent methods. Micro-nanostructured Fe3O4@LDHs (SLF) composites balance microwave absorption, corrosion protection, and UV aging resistance. The minimum reflection loss value of SLF is −35.75 dB at 14.16 GHz, when the absorber thickness is 8 mm, and the absorption bandwidth at this frequency is up to 2.56 GHz for RL values less than −10 dB, while the LL is only 1 GHz. The SLF /EP coating has not only excellent microwave absorption performance but also excellent corrosion and UV aging resistance performance. The coating still has some anti-corrosion effect after 10 d of immersion. This work is intended as a reference for the development of new coatings with excellent microwave absorption properties as well as corrosion and UV aging resistance for wind turbine tower barrels (seaside wind power generation equipment) surfaces.

Rapid determination of thiram in lake water using Au/Fe3O4 nanoparticles decorated MOF-867 as efficient surface-enhanced Raman scattering substrate

Rapid determination of pesticide residues in water is of vital importance for human health. However, rapid, reliable, and highly sensitive detection of pesticide residues in water environments remains a challenging issue. In this paper, we prepare Fe3O4/MOF-867 composites using the hot solvent method, and Au+ is reduced to Au NPs by the reducing agent and attached to the film of Fe3O4/MOF-867 composites by the addition of APTES as a linker to synthesize the Au/Fe3O4/MOF-867 SERS substrates. Then, we change the Fe3O4 content and the concentration of the reducing agent to obtain the optimal substrate. The substrate has a detection capability of up to 10−9 M for probe molecule R6G and the RSD is less than 5%, which demonstrates that the substrate has excellent SERS effect and reproducibility. In addition, the Au/Fe3O4/MOF-867 SERS substrates have been applied for the determination of thiram in lake water samples, with its limit of detection (LOD) up to 3.8 × 10−10 M. The Au/Fe3O4/MOF-867 SERS substrates can quickly and efficiently collect target analytes by magnetic enrichment, have high SERS performance, and have great potential for the rapid and sensitive detection of pesticide residues and other pollutants in the environment.

Research Progress of Bioactive Components in Sanghuangporus spp.

The species in Sanghuangporus are a group of edible mushrooms with a long history of oral use in East Asia as a health-improvement method. They should be classified under the genus Sanghuangporus rather than mistakenly in Phellinus or Inonotus. The major components in this genus consist of polysaccharides, polyphenols, triterpenoids, and flavonoids, all of which exist in the fruiting bodies and mycelia. For extraction, studies have shown methods using hot water, ethanol, DES solvent, and alkaline, followed by purification methods including traditional anion column, Sevag solution, macroporous resin, and magnetic polymers. Proven by modern medical technology, these components possess promising anti-inflammatory, antioxidative, antitumor, and immunoregulation effects; additionally, they have health-improving effects including pulmonary protection, hypoglycemic properties, sleep improvement, gout mitigation, antiaging, neuroprotection, and muscle-strengthening abilities. Several toxicity studies have revealed their safety and recommend a dose of 1 g/kg for mice. As a newly emerged concept, functional food can provide not only life-sustaining nutrients but also some health-improving effects. In conclusion, we substantiate Sanghuang as a functional food by comprehensively presenting information on extraction and purification methods, component medical and structural properties, and nontoxicity, hoping to benefit the development of Sanghuang species as a group of functional food.

CaCO3-TiO2 IMPREGNATED AlOE VERA-ALLYL METHACRYLATE ANTIMICROBIAL NANOEMULSION FOR COATING

The present work aims to utilize AMA/MMA/BA/Aloe Vera (AMBA) nanoemulsion for the preparation of sustainable antimicrobial coating materials. The AMBA was synthesized using a semi-continuous seeded emulsion polymerization methodology. The developed coating material has been synthesized by SEM, DSC, TGA/DTA, XRD, and FT-IR spectroscopy. Some properties such as viscosity, hot box stability gloss retention, solid content, freezethaw stability, scrub resistance, electrolytic stability, weather resistance, solvent resistance, and opacity of the coating material were also investigated. It has been found that the coating developed with a 70:30 monomer ratio shows the best results the with highest antimicrobial activity.

Heterostructure seed-mediated synthesis of zinc phosphide quantum dots for bright band-edge emission.

This study explores the synthesis of colloidal zinc phosphide quantum dots (QDs) by a novel In(Zn)P cluster seed-mediated approach, addressing the challenge of achieving low-cost, high-quality, nontoxic QDs suitable for optoelectronic applications. By intentionally limiting the amount of In precursor added to a hot solvent containing Zn and P precursors, In-rich In(Zn)P cluster seeds were formed. Subsequently, these clusters served as seeds for the growth of zinc phosphide nanocrystals, effectively using the remaining Zn and P precursors for further crystal growth. The synthesized QDs exhibited a tetragonal-like Zn3P2 structure and exceptional optical properties, including band-edge photoluminescence (PL) emission under ambient conditions. A ZnS shell was applied to further enhance the PL intensity, achieving a PL quantum yield of 40% and an average PL decay lifetime of 74 ns, while significantly improving the stability of the QDs. Temperature-dependent PL spectroscopy revealed significant resistance to thermal quenching with an exciton dissociation energy of 62 meV, underscoring the potential of this approach for advancing the field of optoelectronics. This method provides a pathway to fabricate zinc phosphide-based QDs with controlled optical properties and highlights the effective use of earth-abundant materials in the development of environmentally benign photonic materials.

An ultra-sensitive photoelectrochemical biosensing platform based on the AgVO3/BiOI heterojunction for an enzyme activity inhibition reaction.

An ultra-sensitive photoelectrochemical sensing platform for profenofos detection based on the inhibition of catalase activity was prepared in this work. First, the novel functional nanocomposite material AgVO3/BiOI was prepared by a hot solvent method and successive ion layer adsorption reaction. Then, chitosan was employed as a dispersion medium to disperse and immobilize the catalase. Under visible light irradiation, the prepared CAT/CS/AgVO3/BiOI/ITO nanocomposite electrode generates a stable low photocurrent in hydrogen peroxide solution. When this electrode is immersed in a phosphate buffer solution containing profenofos, the activity of the catalase is inhibited, resulting in an increase in the photocurrent. Under the optimized experimental conditions, the profenofos concentration and increase in photocurrent are linearly related in the concentration range of 1 × 10-10 to 5.0 × 10-8 mol L-1, and the limit of detection is 1.0 × 10-11 mol L-1. This biosensor shows good selectivity for detecting profenofos in fruits and vegetables, and the determination results of profenofos are satisfactory.

Phytochemical and bioactive efficiency of Dicranopteris linearis

Pteridophytes form an important part of the biodiversity of our country, especially Western Ghats. Limited number of studies has been done to explore the phytochemical and medicinal potentialities of ferns as compared to other higher plants. The present study aims at evaluating the phytochemical, antibacterial, antioxidant, cytotoxicity and GC–MS analysis of Dicranopteris linearis (Burm. f.) Underw., commonly called as ‘old world forked fern’. Fronds are extracted by hot solvent extraction method with soxhlet apparatus using petroleum ether, ethyl acetate, methanol and water. Qualitative phytochemical analysis revealed the presence of various secondary metabolites such as alkaloids, flavonoids, glycosides, cardioglycosides, phenolics, terpenoids, steroids, quinones, anthocyanin saponins, tannins and betacyanin. Extracts are subjected to antibacterial assay against five pathogenic bacterial strains such as Shigella flexneri, Pseudomonas aeruginosa, Serratia marcescens, Escherichia coli and Salmonella typhi. Extracts in ethyl acetate and methanol showed significant antimicrobial activity against the strains tested. Analysis of antioxidant activity using DPPH free radical scavenging assay depicted remarkable antioxidant efficacy of the plant extract. The GC–MS analysis of methanol extract showed the presence of various phytochemicals such as itaconic anhydride, methylpalmitate, phthalic acid, methyl linolelaidate, 9-octadecanoic acid etc, with antimicrobial and bioactive properties. Cytotoxicity analysis using MTT assay revealed that the plant extract is non-toxic to normal cells. Isolation and characterization of active principle from the plant may lead to further development in fern phytochemistry.

Wild Mushrooms: A Hidden Treasure of Novel Bioactive Compounds.

Secondary metabolites are hidden gems in mushrooms. Understanding these secondary metabolites' biological and pharmacological effects can be aided by identifying them. The purpose of this work was to profile the mycochemical components of the extracts of Auricularia auricula judae, Microporus xanthopus, Termitomyces umkowaani, Trametes elegans, and Trametes versicolor to comprehend their biological and pharmacological capabilities. Mushroom samples were collected from Kenya's Arabuko-Sokoke and Kakamega National Reserved Forests and identified using morphological and molecular techniques. Chloroform, 70% ethanol, and hot water solvents were used to extract the mycochemical components. Gas chromatography mass spectrometry (GC-MS) was used to analyze the chloroform, 70% ethanol, and hot water extracts of all the species examined. A total of 51 compounds were isolated from all extracts and classified as carboxylic acids, esters, phenols, fatty acids, alcohol, epoxides, aldehydes, fatty aldehydes, isoprenoid lipids, and steroids. Tetracosamethyl-cyclododecasiloxane (18.90%), oleic acid (72.90%), phenol, 2, 6-bis (1, 1-dimethylethyl)-4-methyl-, and methylcarbamate (26.56%) were all found in high concentrations in A. auricular judae, M. xanthopus, T. umkowaani, T. elegans, and T. versicolor, respectively. Fatty acids make up the majority of the compounds isolated from the T. elegans chloroform extract and the T. umkowaani 70% ethanol extract, respectively. Particularly, these fatty acids play crucial roles in the anti-inflammatory, hypocholesterolemic, anticancer, and antibiofilm formation activities. These bioactive elements indicate that the extracts of five wild mushrooms may be reliable sources of secondary metabolites for therapeutic development. Therefore, additional research is required to comprehend the usefulness of these chemicals in many functional areas and to improve the present understanding of macrofungi.

Influence of solvent injection temperature in steam-solvent assisted gravity drainage process for heavy oil reservoirs of Brazilian Northeast

The solvent–steam assisted gravity drainage is an oil recovery process that combines the advantages of thermal and miscible effects, and it has been successfully tested, especially in Canada, where many heavy oil reservoirs are located. This method uses two parallel horizontal wells drilled one above the other, the upper injects steam and solvent and the lower produces oil. This process has not been applied yet in Brazil, where there are heavy oil reservoirs, especially in northeast region. Based on this context, this research aimed to study the application of the ES-SAGD process in a semisynthetic reservoir, with characteristics similar to those found in the Brazilian Northeast, specifically to analyze the influence of the solvent injection scheme on ES-SAGD. Numerical simulations were performed using commercial software from CMG. It was analyzed several steam-solvent injection rates, using two injected temperatures for solvent, (at reservoir or at steam temperature´s), in order to minimize explosion risks, that can be due to high temperatures. Results showed that solvent injection temperature has great influence on oil recovery, it is better for oil production when it is inject hot solvent, because cold solvent generates a cooling of the steam. However, it is possible to injected cold solvent (at reservoir temperature), and increase oil production, changing some steam properties, avoiding explosions risks.

Unravelling the spectral enigma with enhanced extraction of algal dyes: A sustainable energy tactic

Natural microalgal dyes as a photosensitizer in dye-sensitized solar cells (DSSCs) have the potential to challenge the slender spectral response in DSSCs. This paper analyses the extraction efficiency of these dyes obtained via the hot and cold solvent methods in the finest solvent concentration.The dye from six indigenous microalgal species i.e., Scenedesmus sp., Asterarcys quadricellulare, Coelastrella sp., Desmodesmus pseudocommunis, Coelastrum proboscideum, and Pediludiela daitoensis utilizing solvents of acetone, ethanol, and methanol in various concentrations of 80%, 90%, and 100%, were further plotted for UV–Vis spectra and analyzed via MATLAB. Species were continuously shortlisted based on the accepted method of hot solvent extraction using more efficient solvent ethanol. The UV–Vis spectra showed peaks at wavelengths 421, 435, 467, 618, 652, and 665 nm to conclude the presence of pigments like Chlorophyll a and b, pheophytin a and b in it alongside some shifts.The most promising results are found in the Asterarcys quadricellulare and Scenedesmus sp. species extracted in ethanol at 80% concentration. Ethanol (80%) and methanol (90%) hot solvent extracted dyes were compared for characterization analysis like FTIR, Cyclic Voltammetry, and stability testing via UV–Vis to support their potential to be efficient dyes for DSSC fabrication. It was also observed that the Scenedesmus sp. dye is comparatively less stable than Asterarcys quadricellulare dye in ethanol solvent whereas Scenedesmus sp. dye seems to be more stable in methanol.

Effect of temperature on curcumin solubility in a pressurized hot water solvent: Experimental and molecular dynamics simulation

Curcumin is a valuable bioactive compound and has attracted the attention of many researchers due to its wide range of medicinal effects. In this paper, curcumin solubility in pressurized hot water (PHW) was determined by static method, and for the first time, molecular dynamics simulation of curcumin solubility in PHW was performed. Molecular dynamics simulation is a powerful method to predict the atomic behavior of different structures. Here, the simulations were performed using the COMPASS force field and Velocity Verlet motion algorithm in the Lammps simulation package. The simulation results were compared with the experimental results. The results showed that the solubility of curcumin in PHW increases with increasing temperature and the solubility at 418.15 K was >230 times its solubility at ambient temperature. Also, the diffusion coefficients of curcumin increased with increasing temperature, and it was found that the tendency of water molecules to surround the curcumin molecule, which occurs through O(OH curcumin)-H(water) interaction, increased with increasing temperature. The Absolute Average Relative Deviation (AARD) between the experimental and simulated results for solubility and density data was 9.07% and 7.85%, respectively. As a result, the molecular dynamics simulation method well predicted the solubility behavior of curcumin in PHW.