Thermoplastic Polyurethane Elastomers Research Articles

Stearate‐Modified Montmorillonite and Polylactic Acid Synergistically Enhanced the Microcellular of Thermoplastic Polyurethane Elastomer Foam and Improved Its Dimensional Stability

Thermoplastic polyurethane (TPU) elastomer is a commonly used material for foam preparation. However, its application is hindered by significant shrinkage behavior. To reduce the foam shrinkage, polylactic acid (PLA) and calcium stearate‐modified montmorillonite (MMT‐St) are incorporated into the polyurethane matrix. The TPU/PLA/MMT‐St composite foams are formed using an intermittent supercritical carbon‐dioxide‐foaming process. The addition of PLA inhibits the relaxation of TPU chain segments, while the introduction of calcium stearate (GaSt2) improves the dispersion of MMT within the matrix, increases the nucleation sites of cell growth, and improves cell structure. The cell diameter decreases from 10 to 4 μm, while the cell density increased from 4.1 × 1012 to 15.8 × 1012 cell cm−3. In addition, the cell distribution range narrows from 4–19 to 2–6 μm. Incorporating MMT‐St increases the crystallinity and thermal stability of TPU/PLA, mitigates chain relaxation at room temperature, and enhances foam dimensional stability. As a result, this leads to a decrease in shrinkage rate from 27.5% to 5%. As both matrices of the material are thermoplastic, this composite foam possesses recyclability with enhanced material utilization.

The effect of polycaprolactone polyol molecular weight and chain extender type on the physico-mechanical properties and gas permeability of polyurethane thermoplastic elastomer membranes

ABSTRACT In this study, polyurethane thermoplastic elastomers (TPU) were synthesized using isophorone diisocyanate (IPDI), 1,4-butanediol (BDO), and 1,6-hexanediol (HDO) as the chain extenders, and polycaprolactone diol (PCL-diol) with three different molecular weights (2000, 4000, and 10,000 g/mol) as polyols. Fourier transform infrared (FTIR) spectroscopy, X-ray diffraction (XRD) patterns, and differential scanning calorimetry (DSC) were conducted to analyze the chemical microstructure and phase morphology of the prepared samples. The results showed that the change in the chain extender’s type (BDO and HDO) leads to a decrease in the hydrogen bonding index (HBI). Increasing the molecular weight of PCL-diol in BDO-based TPUs has led to an increase in their crystallinity, Young’s modulus, melting temperature, tensile strength, and a decrease in glass transition temperature and elongation at break. Moreover, the increase in the molecular weight of PCL-diol in HDO-based TPUs demonstrated an increase in the crystallinity and elongation at break and tensile strength up to the molecular weight 4000 in PCL-diol, after that, there was a decrease in those properties due to the increase of the soft segments content and change in the chain extender type. Permeability on TPU membranes was performed for N2 and CO2 at three different pressures 3, 6, and 9 atm at room temperature. An increase in pressure led to an increase in membrane permeability due to the increase in gas solubility in TPU based on Henry’s law. The permeability of CO2 is higher than N2 due to the proper interactions of CO2 gas with the polar carbonyl groups of polyurethane. It is observed that the permeability increases in BDO-based samples with an increase in the molecular weight of PCL-diol, while the increase in permeability of HDO-based TPU is up to PCL-diol molecular weight 4000 and after that is decreased. The selectivity of CO2 has decreased with increasing pressure due to the higher rate of dissolution of N2 at higher pressures.

Preparation and performance characteristics study of thermoplastic polyurethane elastomer (TPU) for basketball shoe soles

Thermoplastic Polyurethane Elastomer (TPU) materials have found extensive applications in the preparation of basketball shoe soles, owing to their excellent elasticity, lightweight properties, and durability. However, TPU materials still face challenges related to breathability, temperature sensitivity, and weather resistance, necessitating further research and improvement. This paper primarily investigates the advancements in E-TPU materials with high rebound foam particles tailored for basketball shoe sole applications. It emphasizes the factors influencing their performance and presents performance control methods from the perspectives of synthesis, molding, and usage. This research provides innovative approaches and methodologies for basketball shoe sole design.

Electrospun thermoplastic polyurethane membrane decorated with carbon nanotubes: A platform of flexible strain sensors for human motion monitoring

A piezoresistive flexible strain sensor was developed using thermoplastic polyurethane elastomers (TPU) as the matrix and carbon nanotubes (CNTs) as conductive fillers. Sensitivity, strain range, and tensile cycling stability were concurrently considered during its design. Electrospun TPU fiber membranes were prepared via electrospinning in this experiment, with controllable fiber diameter achieved by adjusting the rotational speed of the electrospinning receiving drum. CNTs were incorporated into a flexible polymer substrate through suction filtration to create the strain sensor. The support structure of the electrospun film served as a carrier for uniformly adhering conductive particles. Well-dispersed conductive CNTs could more easily achieve uniform loading through the pore size of the electrospun fiber film, thereby forming a conductive layer. This study initially determined the influence of TPU content in the spinning solution on the morphology of the electrospun membrane. Subsequently, the effects of CNT content and electrospinning receiving drum rotational speed on the microstructure of TPU electrospun membranes were investigated, along with their impact on the microstructure, mechanical properties, and sensing performance of CNTs/TPU (CT) flexible strain sensors. The results indicate that the electrospun fiber membrane prepared under the conditions of TPU mass fraction of 20 wt% and rotational speed of 100 r/min has a larger average fiber diameter and a more stable scaffold structure. The CNTs/TPU (CT) sensor, prepared by filtering 10 mL of CNTs with a concentration of 2 mg/mL, exhibited the best mechanical properties, with a tensile strength and elongation at break of 6.22 MPa and 575 %, respectively. Additionally, it demonstrated high sensitivity (GF = 420.17 at 200 % strain) and excellent durability stability (300 cycle tests), enabling quick and accurate responses to movements of various parts of the human body, thereby meeting the basic usage requirements of flexible strain sensors.

Magnetic Reprogramming of Self‐Assembled Hard‐Magnetic Cilia

AbstractArtificial magnetic cilia are hair‐like structures that can respond to magnetic fields. Using hard magnetic materials in magnetic cilia makes possible programming and reprogramming of the magnetization state and corresponding actuation behaviors. Hard‐magnetic cilia are fabricated through self‐assembly by solvent casting of a slurry of NdFeB microparticles dispersed in a solution of a thermoplastic polyurethane elastomer. These hard‐magnetic cilia are capable of attractive and repulsive responses to magnetic fields, determined by the remanent magnetization of the NdFeB microparticles. An array of cilia can be magnetically reprogrammed through immobilization in ice, applying a damped alternating magnetic field first to reduce the remanent magnetization, and then remagnetizing the cilia with a large field. This demagnetization process significantly improves the reprogrammability of the cilia array. Different responses to magnetic fields can be programmed, including spatially nonuniform behaviors. Reprogrammed hard‐magnetic cilia exhibit unique behaviors in rotating magnetic fields. After reprogramming the magnetization direction along the width of the cilia, rotation and torsion cause them to slowly coil and then quickly uncoil in a snapping behavior. Modeling the magnetic and elastic torques during actuation provides additional insights and aids the design of magnetic cilia actuators based on hard magnets.

Benzoxazine/ thermoplastic polyurethane nanofibrous membranes with superior mechanical properties for efficient oil-water separation

The integration of membrane separation and electrospinning technologies has significantly advanced oil-water separation processes. However, enhancing the mechanical robustness, corrosion resistance, and durability of oil-water separation membranes remains a challenge. In this paper, we utilized the electrospinning technique to fabricate a micro-nanostructured nanofibrous (NFs) membrane by blending benzophenone monomer (BPAF-an) with thermoplastic polyurethane elastomer (TPU). By optimizing the solid content, the mass ratio of compounds to polymers, and the solvent composition in the spinning precursor solution, we determined the optimal electrospinning parameters for fabricating the TPU/BPAF-an NFs membrane. The incorporation of BPAF-an, known for its low surface energy, significantly enhanced the hydrophobicity of the nanofiber membrane. The TPU/BPAF-an NFs membrane demonstrated excellent mechanical properties, exhibiting a tensile strength of 7.38 MPa and an elongation at break of 292 %. The membrane had good hydrophobicity and its water contact Angle is up to 145.2°. It also displayed exceptional separation efficiency, exceeding 99 % for oil-in-water emulsions and various oil-water mixtures. Even in harsh environments such as strong acids, alkalis and salts, they have prominent hydrophobicity, lipophilicity and chemical stability. In addition, the membrane maintained a high flux rate of 1995.37 L m−2 h−1 and a separation efficiency of 96 % even after 100 cycles of oil-water separation. Consequently, the TPU/BPAF-an NFs membrane, with its superior mechanical properties and cycle stability, holds substantial promise for application in oil-water separation.

Giant nanomechanical energy storage capacity in twisted single-walled carbon nanotube ropes

AbstractA sustainable society requires high-energy storage devices characterized by lightness, compactness, a long life and superior safety, surpassing current battery and supercapacitor technologies. Single-walled carbon nanotubes (SWCNTs), which typically exhibit great toughness, have emerged as promising candidates for innovative energy storage solutions. Here we produced SWCNT ropes wrapped in thermoplastic polyurethane elastomers, and demonstrated experimentally that a twisted rope composed of these SWCNTs possesses the remarkable ability to reversibly store nanomechanical energy. Notably, the gravimetric energy density of these twisted ropes reaches up to 2.1 MJ kg−1, exceeding the energy storage capacity of mechanical steel springs by over four orders of magnitude and surpassing advanced lithium-ion batteries by a factor of three. In contrast to chemical and electrochemical energy carriers, the nanomechanical energy stored in a twisted SWCNT rope is safe even in hostile environments. This energy does not deplete over time and is accessible at temperatures ranging from −60 to +100 °C.

Core-sheath smart polymer fiber composites with high elasticity and thermal conductivity

Thermal conductive polymer fibers have broad development prospects because of its excellent thermal and mechanical properties. However, currently reported polymer fibers cannot simultaneously possess high thermal conductivity and high resilience, which greatly limits the application of thermal conductive polymer fibers. Therefore, preparing fibers with high thermal conductivity and high resilience is extremely challenging. The thermoplastic polyurethane/boron nitride liquid metal (TPU/BN-LMs) fiber with core sheath structure is prepared by coaxial wet spinning technology, the boron nitride (BN) doped in thermoplastic polyurethane elastomer (TPU) as sheath and the liquid metal (LMs) as core. The maximum tensile strength of the fiber is 3.9 MPa, and the elongation can reach 400 %. After multiple cycles of stretching, it can return to its original state. In addition, the thermal conductivity of the fiber in the horizontal direction and the vertical direction are 10.0 W m−1 K−1 and 4.6 W m−1 K−1, respectively. This work solves the current problem of high thermal conductivity and high resilience of thermally conductive polymer fibers that are difficult to be compatible. And it provides a new research idea for the design and preparation of new high thermal conductivity and high resilience polymer fiber materials.

Advancing Surgical Arrhythmia Ablation: Novel Insights on 3D Printing Applications and Two Biocompatible Materials.

To date, studies assessing the safety profile of 3D printing materials for application in cardiac ablation are sparse. Our aim is to evaluate the safety and feasibility of two biocompatible 3D printing materials, investigating their potential use for intra-procedural guides to navigate surgical cardiac arrhythmia ablation. Herein, we 3D printed various prototypes in varying thicknesses (0.8 mm-3 mm) using a resin (MED625FLX) and a thermoplastic polyurethane elastomer (TPU95A). Geometrical testing was performed to assess the material properties pre- and post-sterilization. Furthermore, we investigated the thermal propagation behavior beneath the 3D printing materials during cryo-energy and radiofrequency ablation using an in vitro wet-lab setup. Moreover, electron microscopy and Raman spectroscopy were performed on biological tissue that had been exposed to the 3D printing materials to assess microparticle release. Post-sterilization assessments revealed that MED625FLX at thicknesses of 1 mm, 2.5 mm, and 3 mm, along with TPU95A at 1 mm and 2.5 mm, maintained geometrical integrity. Thermal analysis revealed that material type, energy source, and their factorial combination with distance from the energy source significantly influenced the temperatures beneath the 3D-printed material. Electron microscopy revealed traces of nitrogen and sulfur underneath the MED625FLX prints (1 mm, 2.5 mm) after cryo-ablation exposure. The other samples were uncontaminated. While Raman spectroscopy did not detect material release, further research is warranted to better understand these findings for application in clinical settings.

Imidazolium‐based ionic thermoplastic polyurethane with low surface energy and antibacterial activities

AbstractA series of novel thermoplastic polyurethane elastomers with both low surface energy and antibacterial activity were synthesized in this paper. Firstly, four imidazole salt diols with different alkyl chain lengths at the N‐position of imidazolium cation ([CnIm+][Cl−]) were prepared. Then, imidazolium‐based ionic thermoplastic polyurethane elastomers (Si‐ITPUs) were formulated by incorporating polydimethylsiloxane and polytetramethylene glycol as a mixed soft segment, 1,4‐butanediol and [CnIm+][Cl−] as a chain extender, and 4,4′‐dicyclohexylmethane diisocyanate. The structure, thermal stability, mechanical properties, physical crosslinking density, and the anti‐graffiti properties of Si‐ITPUs were evaluated. The surface energy and water absorption were evaluated through static contact angle and water resistance tests, respectively. Furthermore, the antibacterial activities against both Staphylococcus.aureus and Escherichia coli were characterized by the plate colony counting method. The results demonstrated that Si‐ITPUs possessed surface energy of approximately 23 mN/m, which conferred excellent anti‐graffiti and self‐cleaning performance. Furthermore, the increase of the alkyl chain length of substitutions resulted in a decrease in the tensile strength but an increase in the elongation at break. Si‐ITPU‐C4 exhibited optimized antibacterial activities with an antibacterial rate of more than 99.9% against both S. aureus and E. coli. This novel polyurethane is anticipated to find applications in the medical device industry and food processing sector.

Facing new challenges in the conservation of the boots of former Valencia Club de Fútbol player Gaizka Mendieta

The article presents the restoration process carried out on the boots of former Valencia Club de Fúbtol player Gaizka Mendieta. The boots have become an object of socio-cultural relevance, as they were donated to the Club by the player. These boots are more than twenty years old and are made of kangaroo leather. The sole is made up of two layers: the first, thicker, of Phylon (ethylene-vinyl acetate), and the second, thinner and lighter, of thermoplastic polyurethane elastomer (TPU). The condition of the sole was extremely unstable, since, due to hydrolysis, the polyurethane had degraded, generating a very accentuated film of whitish crystals. On the other hand, the rubber studs of the football boots were in an extremely high state of degradation and loss. Moreover, the whole assembly was deformed, dirty and poorly adhered. The article describes in detail the materials and techniques used in the restoration, being one of the few dedicated to this problem.

Flexible electrospinning pressure sensing film with wide pressure detection range and high sensitivity

The preparation of flexible sensors with high sensitivity, wide detection range and good stability is a hot and difficult topic in recent years. Therefore, it is necessary to develop a pressure sensor with high sensitivity and wide pressure range. In this paper, multiwall carbon nanotubes (MWCNT)/thermoplastic polyurethane elastomer rubber (TPU) nanofiber conductive films with microporous structure are prepared by electrospinning using MWCNT as a conductive material. Then, a flexible pressure sensor with a sandwich structure is prepared while the film is used as the central layer. The pressure detection range can reach 364 kPa during testing. And when the pressure range is 201 ∼ 364 kPa, the sensitivity is still as high as 0.0658 kPa−1, with fast response time and recovery time. The sensor has good stability in cycle testing and still maintains high sensitivity after washing, proving that it has good washing resistance. The sensor has great potential for application in sports and health monitoring.

Structure versus hydrolytic and thermal stability of bio-based thermoplastic polyurethane elastomers composed of hard and soft building blocks with high content of green carbon

Nowadays, sustainability plays a key role in the design and synthesis of new materials. One of the methods for the preparation of green materials is incorporation into their structure the monomers with a high content of green carbon. Therefore, the aim of this work was to investigate the influence of the type and molecular mass of two bio-based polyester polyols and bio-glycol on the properties of aliphatic partially bio-based thermoplastic polyurethane elastomers (bio-TPU). Two series of bio-TPUs materials composed of hard and soft building blocks with high green carbon content were prepared via the two-step method (prepolymer method). Two amorphous bio-based polyester polyols with the molecular mass ~ 2000 (P1) and ~ 3000 (P2) were used. Bio-TPUs were prepared at three different molar ratio of [NCO]/[OH]: 0.9, 0.95, and 1.0. In order to determine the influence of bio-based polyols and the content of hard segments on the properties of bio-TPU, relevant test methods were used. The Fourier transform infrared spectroscopy (FTIR), differential scanning calorimetry (DSC), and thermogravimetry (TG) revealed hydrolytic and thermal stability of bio-TPUs. Viscoelastic behavior, mechanical and physical properties were examined in terms of dynamic mechanical thermal analysis (DMTA), tensile test, hardness, and density. Analysis of the measurement results confirmed the significant influence of the molecular mass of the bio-based polyols and the molar ratio of [NCO]/[OH] on the bio-TPUs properties. Due to good mechanical properties, low density, and thermal stability up to 300 °C, the obtained materials can find many useful applications. This issue is essential in terms of sustainable development and reduction in the CO2 emissions to the atmosphere.

Theoretical and Experimental Research Concerning the Friction Forces Developed in Hydraulic Cylinder Coaxial Sealing Systems Made from Polymers.

Optimizing the energy efficiency of hydraulic cylinder modern sealing systems requires, among other things, minimizing the developed friction forces. This can be achieved by manufacturing seals from polymer-based polytetrafluoroethylene-type materials (Virgin PTFE and filled PTFE) or from thermoplastic polyurethane elastomers. This paper presents a procedure for calculating and experimentally determining the friction forces developed in the coaxial sealing systems of hydraulic cylinders pistons. Three sealing systems made from different materials were tested under varying conditions of pressure and velocity on an experimental test stand set up by the authors. The paper concludes with data and recommendations for the selection of the optimum seal material in order to maximize energy efficiency. Our comparative research conducted on the seal materials led to the conclusion that for reducing friction forces in hydraulic cylinders, Virgin PTFE is the most adequate.

Fabrication of sports mouthguards using a semi-digital workflow with 4D-printing technology.

Purpose This technical procedure report explains the fabrication protocol for a newly developed 4D-printed sports mouthguard (MG) based on 4D-printing technology.Methods An intraoral scanner was used to scan a maxillary arch model. A two-layer sports MG was designed based on the scanned model using computer-aided design software and output in a standard tessellation language file format. Two types of filament materials were used for the MG material: a thermoplastic shape memory polyurethane elastomer with a unique glass transition temperature for the external layer and a thermoplastic elastomer for the internal layer. Both MGs were printed using a fused deposition modeling 3D printer and assembled using adhesives after trimming the support material. To confirm the shape-memory performance of the fabricated 4D-printed MG, a deviation analysis was performed by superimposing the internal surface data of the fabricated MG and the MG whose shape was recovered. The distance between the data obtained by deviation analysis was calculated, and the root mean square error value (mm) was determined.Conclusions The 4D-printing technology simplifies the complex processes required with conventional methods. It also overcomes the issues of conventional and 3D-printed MGs, such as the reduced fitting accuracy caused by deformation, because this technology employs shape memory materials.

Examination Of Perlite-Polymer Interface Interactions in Polypropylene-Based Composites via Several Compatibilizers

The surface interaction between the polymer and the mineral additive is one of the most significant aspects influencing the efficiency of mineral-filled polymeric composites. In this work, three distinct compatibilizers were introduced to composites based on polypropylene (PP) and perlite to improve interactions between the constituents. On composites comprising 10% expanded perlite content, three different ratios of ethylene vinyl acetate copolymer (EVA), thermoplastic polyurethane elastomer (TPU), and maleic anhydride grafted polypropylene (MA-PP) compatibilizers were employed. Composites were produced using an approach designated melt blending followed by injection molding. The composites containing MA-PP compatibilizer possessed the most outstanding performance, according to the results of mechanical, physical, and dynamic mechanical evaluations and morphological characterizations. The investigated aspects indicated a rise in the composites containing 10 percent compatibilizer with the lowest adding amount, whereas performances declined at high compatibilizer contents. Along with these results, it was determined that the compatibilizers included in the PP/perlite composite system assisted in the fabrication of the composites by promoting the force values and melt flow rates identified during melt mixing. Following the test outcomes, MA-PP performed better than TPU and EVA in terms of compatibilizer efficiency. In general, it has been revealed that the selection of MA-PP compatibilizer in the manufacturing stages would offer benefits in terms of both simplicity of processing and mechanical strength where expanded perlite will be adopted as a natural filler for PP-based composites.

Co-continuous structure enhanced magnetic responsive shape memory PLLA/TPU blend fabricated by 4D printing

ABSTRACT Combining poly (L-lactic acid) (PLLA) with thermoplastic polyurethane elastomer (TPU) can integrate the advantages of excellent biocompatibility and intrinsic shape memory ability of PLLA and high elasticity and excellent shape memory properties of TPU in the application of minimally invasive surgery for bone tissue engineering. However, TPU easily forms a sea-island-like structure in PLLA matrix, decreasing shape memory properties. In this study, a co-continuous structure of TPU phase in PLLA matrix was constructed by adding Fe3O4 nanoparticles due to the changed interfacial tension and flow behavior of TPU, which endowed the TPU/PLLA/Fe3O4 blend fabricated via selective laser sintering (SLS) with excellent shape memory properties. As a result, the morphology of TPU in the blend changed from sea-island-like structure to complete co-continuous structure with increasing Fe3O4 content (0 to 10wt%), and shape recovery ratios in 50 °C water increased from 66.67 to 95.92%. The introduction of Fe3O4 endowed the blend with magnetic responsive shape memory in alternating magnetic field because Fe3O4 could heat it by generating heat from relative friction and particle collisions. Besides, the tensile modulus and hardness of the specimen with 10wt% Fe3O4 nanoparticles increased. In addition, the blend demonstrated excellent biocompatibility by promoting cell adhesion, spreading, and proliferation.

Origami Metamaterials Enable Low-Stress-Driven Giant Elastocaloric Effect.

Elastocaloric materials, capable of achieving reversible thermal changes in response to a uniaxial stress, have attracted considerable attention for applications in advanced thermal management technologies, owing to their environmental friendliness and economic benefits. However, most elastocaloric materials operating on the basis of first/second-order phase transition often exhibit a limited caloric response, field hysteresis, and restricted working temperature ranges. This study resorts to origami engineering for realizing multifunctional metamaterials with exceptional elastocaloric effects at both nano (exemplified by computational simulations for graphene) and meso (demonstrated by experimentation on thermoplastic polyurethane elastomers) scales. The findings uncover that the graphene origami exhibits low-stress-driven reversible and giant elastocaloric effects without a hysteresis loss and with a high elastocaloric strength. These effects are achieved across a wide working temperature range (100-600 K) and are tailorable by fine-tuning the topological parameters and configurational status of the origami metamaterials. We demonstrate the scalability of the origami design strategy for magnifying the elastocaloric effect by the 3D printing of a mesoscale origami-inspired thermoplastic polyurethane metastructure that showcases enhanced elastocaloric performance at room temperature. This study presents the potential for the realization of architected elastocaloric materials through surface functionalization and origami engineering. The findings impart exciting prospects of elastocaloric origami metamaterials as the next generation of multiscale and sustainable thermal management technologies.

Novel Single Emissive Component Tridurylboron-TPU Solid Polymer Ratiometric Fluorescence Thermometers.

Temperature measurements with high spatial resolution and accuracy can provide crucial data for understanding the changing process of microregion. Non-contact ratiometric fluorescence thermometers have received widespread attention for their sensitivity and interference resistibility. However, polymer and organic dye thermometers with such ratiometric fluorescence are very rare, and their applicability and processability are limited. In this study, novel tridurylboron compounds PPB1, PPB2, and PPB3 are designed and synthesized. They exhibit significant temperature responsive ratiometric fluorescence when dispersed in thermoplastic polyurethane elastomers (TPU). With a self-referencing feature and protection of TPU solid polymer, such fluorescence thermometers possess strong interference resistibility. From -10° to 60°C, the fluorescence peak of PPB1-TPU system redshifted by 41nm, the fluorescence color changes from blue to green. For the fluorescence ratiometric temperature measurement procedure, the absolute sensitivity is 14.5%°C-1 (40°C) and relative sensitivity is 6.3%°C-1 (35°C), which is much higher than reported solid polymer fluorescence thermometers. The temperature-responsive ranges can be adjusted by altering the types of polymer substrate and the number of the substituents. Such tridurylboron-TPU polymer fluorescence thermometers can be applied in aqueous environment and processed into devices of various shapes and sizes, demonstrating great potential for application.

Experimental studies and molecular dynamics simulation of the compatibility between thermoplastic polyurethane elastomer (TPU) and asphalt

Compatibility between polymer and asphalt is an important issue to be considered when the polymer is added to base asphalt as a modifier. It determines the stability of the modified asphalt system. The purpose of this paper is to investigate the effect of shearing temperature and the content of thermoplastic polyurethane elastomer (TPU) on the compatibility between TPU and asphalt by means of experiments and molecular dynamics simulations. Firstly, the molecular models of base asphalt, TPU chain and TPU/asphalt blends were constructed by using Materials Studio 8.0. Based on the rational construction of the model, the effect of shearing temperature on the storage stability of TPU modified asphalt was evaluated by the calculation of solubility parameter (δ) and mean square displacement (MSD). In addition, the effect of different TPU admixtures on the compatibility of TPU with asphalt was characterized by interaction energy and radial distribution function (RDF). The results of molecular dynamics calculation were compared with the results of fluorescence microscopy test (FM) and segregation test. It showed that the minimum difference in solubility parameters between TPU and asphalt occurs when the shearing temperature was 170 °C, at which the diffusion movement of TPU in asphalt was the most active. The interaction energy between TPU and asphalt reached the peak when the content of TPU in asphalt was 17 wt%. Furthermore, the RDF results also indicated that the optimum dispersion effect of TPU in asphalt is achieved at this TPU content. The molecular dynamics simulation results are in agreement with the experimental results.