Theoretical consideration of solubility by Hildebrand solubility approach

Bhamare, Vaibhav Gulabrao; Joshi, Renuka Ravindra; Gangurde, Mayur Sakharam; Pawar, Vijay V

doi:10.30574/wjarr.2021.12.3.0680

Cited by 5 publications

(1 citation statement)

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“…The concept of cohesive energy density was first proposed by Hildebrand in the context of blending theory, which uses cohesion energy to estimate the energy change when mixing two substances [ 24 ]. At the same time, the theory introduced the solubility parameter as a measure to assess the compatibility of two materials, especially non-polar polymers.…”

Section: Compatibility Study Of Sbr With Asphalt Based On Molecular S...mentioning

confidence: 99%

Study on the Compatibility of SBR and Asphalt Base Based on Molecular Simulation

Jiao,

Huang,

Zhao

et al. 2024

Materials

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In the field of highway construction, the application of styrene–butadiene rubber (SBR)-modified asphalt has gained popularity across different levels of road surfaces. A crucial aspect in ensuring the efficacy of this modification lies in the compatibility between SBR and the matrix asphalt. To address this, the current study utilizes molecular dynamics simulation as a technique. By establishing a model for the SBR-modified asphalt mixture, the research quantifies the compatibility level between the SBR modifier and the asphalt. The aim is to uncover the underlying mechanisms of compatibility between the SBR modifier and the base asphalt, ultimately contributing to the improvement of the storage stability of SBR-modified asphalt, which holds significant importance. The investigation began with the creation of models for both the base asphalt and the SBR modifier. A model for the SBR-modified asphalt blending system was then formulated based on these initial models. After undergoing geometry optimization and annealing procedures, the model attained its lowest energy state, providing a reliable basis for examining the performance of SBR-modified asphalt. The study proceeded to calculate solubility parameters and interaction energies of the system to evaluate the compatibility between the SBR modifier and the base asphalt at various temperatures. The analysis of these parameters shed light on the compatibility mechanism between the two components. Notably, it was found that at a temperature of 160 ℃, the compatibility was significantly enhanced. The findings were further corroborated through scanning electron microscope and rheological tests. The outcomes of this research offer theoretical guidance for the application of SBR-modified asphalt.

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Section: Compatibility Study Of Sbr With Asphalt Based On Molecular S...mentioning

confidence: 99%

Study on the Compatibility of SBR and Asphalt Base Based on Molecular Simulation

Jiao,

Huang,

Zhao

et al. 2024

Materials

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Mechanically Strong and Fast‐Curing Kraft Lignin‐Based Polyurethane Foam

Husna,

Ismayati,

Syafii

et al. 2024

J of Applied Polymer Sci

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The creation of biobased rigid polyurethane from nonfood resources such as lignin has garnered significant interest, especially concerning the biorefinery concept. However, few studies have investigated virgin lignin as a polyol source for polyurethane foam and the effects of single factors, such as the lignin solvent, lignin concentration, and lignin:isocyanate ratio, on the properties of polyurethane. High‐density rigid foam (~500 kg/m3) was successfully formed by all the solvents except sodium hydroxide, which was confirmed via Fourier transform infrared (FTIR) spectroscopy and pyrolysis‐gas chromatography–mass spectrometry (Py‐GCMS). The highest to lowest modulus of elasticity (MOE) and modulus of rupture (MOR) values for the different lignin solvents were as follows: tetrahydrofuran (THF) (402.25 and 13.24 N/mm2) > dimethyl formamide (DMF) (46 and 1.69 N/mm2) > dimethyl sulfoxide (DMSO) (29 and 1.39 N/mm2). DMSO was selected as the optimal solvent because of the considerable curing time (26.67 s) needed to produce rigid foam. A higher lignin concentration resulted in better physical, mechanical, and thermal properties of the foam to some extent. Moreover, the opposite occurred with increasing isocyanate ratio in the system. These findings can serve as a basis for optimizing the utilization of lignin as a bioresource in the manufacture of rigid polyurethane foam with more specific uses.

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