scholarly journals Surface Response Methodology-Based Mixture Design to Study the Influence of Polyol Blend Composition on Polyurethanes’ Properties

Molecules ◽  
2018 ◽  
Vol 23 (8) ◽  
pp. 1942 ◽  
Author(s):  
Said Arévalo-Alquichire ◽  
Maria Morales-Gonzalez ◽  
Luis Diaz ◽  
Manuel Valero
Keyword(s):  
Thermal Stability ◽  
Contact Angle ◽  
Tensile Strength ◽  
Water Absorption ◽  
Hydrolytic Degradation ◽  
Mixture Design ◽  
Structure Property ◽  
Blend Composition ◽  
Property Relationship ◽  
Structure Property Relationship

Polyurethanes are materials with a strong structure-property relationship. The goal of this research was to study the effect of a polyol blend composition of polyurethanes on its properties using a mixture design and setting mathematic models for each property. Water absorption, hydrolytic degradation, contact angle, tensile strength hardness and modulus were studied. Additionally, thermal stability was studied by thermogravimetric analysis. Area under the curve was used to evaluate the effect of polyol blend composition on thermal stability and kinetics of water absorption and hydrolytic degradation. Least squares were used to calculate the regression coefficients. Models for the properties were significant, and lack of fit was not (p < 0.05). Fit statistics suggest both good fitting and prediction. Water absorption, hydrolytic degradation and contact angle were mediated by the hydrophilic nature of the polyols. Tensile strength, modulus and hardness could be regulated by the PE content and the characteristics of polyols. Regression of DTG curves from thermal analysis showed improvement of thermal stability with the increase of PCL and PE. An ANOVA test of the model terms demonstrated that three component influences on bulk properties like water absorption, hydrolytic degradation, hardness, tensile strength and modulus. The PEG*PCL interaction influences on the contact angle, which is a surface property. Mixture design application allowed for an understanding of the structure-property relationship through mathematic models.

scholarly journals Surface Response Methodology-Based Mixture Design to Study the Influence of Polyol Blend Composition on Polyurethanes Properties

2018 ◽  
Author(s):  
Said Arévalo-Alquichire ◽  
María Morales-González ◽  
Luis E. Barrera ◽  
Manuel F. Valero
Keyword(s):  
Thermal Stability ◽  
Contact Angle ◽  
Tensile Strength ◽  
Water Absorption ◽  
Hydrolytic Degradation ◽  
Mixture Design ◽  
Structure Property ◽  
Blend Composition ◽  
Property Relationship ◽  
Structure Property Relationship

Polyurethanes are materials with a strong structure-property relationship. The goal of this research was to study the effect of a polyol blend composition of polyurethanes on its properties using a mixture design and setting mathematic models for each property. Water absorption, hydrolytic degradation, contact angle, tensile stretch, hardness and modulus were studied. Additionally, Thermal stability was studied by thermogravimetric analysis. Area under the curve was used to evaluate the effect of polyol blend composition on thermal stability and kinetics of water absorption and hydrolytic degradation. Least squares were used to calculate the regression coefficients. Models for the properties were significant, and lack of fit was not (P&lt;0.05). Fit statistics suggest both good fitting and prediction. Water absorption, hydrolytic degradation and contact angle were mediated by the hydrophilic nature of the polyols. Tensile strength, modulus and hardness could be regulated by the molecular weight and hydroxyl index of the polyols. Regression of DTG curves from thermal analysis showed improvement of thermal stability with the increase of PCL and PE. An ANOVA test of the model terms demonstrated that three component effects on bulk properties like water absorption, hydrolytic degradation, hardness, tensile strength and modulus, and the PEG*PCL interaction with the contact angle, which is a surface property. Mixture design application allowed for an understanding of the structure-property relationship through mathematic models.&nbsp;&nbsp; &nbsp;&nbsp;

SMART THERMOPLASTIC ELASTOMERS WITH HIGH EXTENSIBILITY FROM POLY (VINYLIDENE FLUORIDE) AND HYDROGENATED NITRILE RUBBER: PROCESSING–STRUCTURE–PROPERTY RELATIONSHIP

2018 ◽  
Vol 91 (1) ◽  
pp. 268-295 ◽  
Author(s):  
Subhabrata Saha ◽  
Anil K. Bhowmick
Keyword(s):  
Tensile Strength ◽  
Thermoplastic Elastomers ◽  
Nitrile Rubber ◽  
Dynamics Simulation ◽  
Structure Property ◽  
Dynamic Vulcanization ◽  
Elongation At Break ◽  
Property Relationship ◽  
Structure Property Relationship ◽  
Very High

ABSTRACT Novel smart thermoplastic elastomers (TPEs) with very high extensibility were prepared by blending polyvinylidene fluoride (PVDF) with hydrogenated nitrile rubber (HNBR) at an appropriate ratio, and their processing–structure–property relationship was investigated. Although the rubber phase was found to be dispersed in the matrix of PVDF for all compositions, morphology was shear sensitive and changed significantly after each processing step. Dropletlike structure was observed after the mixing in an internal mixer and compression molding, which changed to the lamellar structure after milling and injection molding. The compression molded sample exhibited very high extensibility (∼1600% elongation at break for 30/70 PVDF/HNBR blend) and a tensile strength of ∼6 MPa due to the formation of a strong interface. The elongation at break was much higher than any of the TPEs reported so far. Theoretical calculation of rubber particle size was also in agreement with the experimental observation. Dissipative particle dynamics simulation was run to capture the morphology, where HNBR chains were more sensitive to the shear force than the PVDF chains. The electromechanical sensitivity of the blend was 14.3 MPa−1, much better than the existing reported elastomeric actuator as well as pristine PVDF. Dynamic vulcanization gave further improvement in tensile strength and tension set properties.

scholarly journals Study of 4,4‘-Methylene Diisocyanate Phenyl Ester-Modified Cassava Residues/Polybutylene Succinate Biodegradable Composites: Preparation and Performance Research

Processes ◽  
2019 ◽  
Vol 7 (9) ◽  
pp. 588
Author(s):  
Lijie Huang ◽  
Hanyu Zhao ◽  
Hao Xu ◽  
Shuxiang An ◽  
Chunying Li ◽  
...  
Keyword(s):  
Mechanical Properties ◽  
Thermal Stability ◽  
Contact Angle ◽  
Tensile Strength ◽  
Water Absorption ◽  
Bending Strength ◽  
Phenyl Ester ◽  
Biodegradable Composites ◽  
Polybutylene Succinate ◽  
Thermal Stability Of

Biomass materials have become a research focus for humankind, due to the decreasing availability of fossil fuels and the increasing release of greenhouse gas. In this work, we prepared biodegradable composites with waste cassava residues and polybutylene succinate (PBS) by modifying cassava residues using 4,4’-methylene diisocyanate phenyl ester (MDI) and tested their properties. The effects of MDI modification on the structure, mechanical properties, water absorption, microstructure, and thermal stability of the composites were studied via Fourier transform infrared spectroscopy, contact angle measurement, mechanical property testing, water absorption analysis, scanning electron microscopy, and thermogravimetric analysis, respectively. The results showed that the tensile strength and flexural strength of the material increased by 72% and 20.89%, respectively, when the MDI-modified cassava residue content was 30%. When 10% MDI-modified cassava residues were added, the tensile strength increased by 19.46% from 16.96 MPa to 20.26 MPa, while the bending strength did not change significantly. The water contact angle of the MDI-treated cassava residues exceeded 100°, indicating excellent hydrophobicity. Thus, MDI modification can significantly improve the mechanical properties and thermal stability of the biocomposite. The composites were immersed in distilled water for 96 h. The water absorption of the cassava residues/PBS composite was 2.19%, while that of the MDI-modified cassava residues/PBS composite was 1.6%; hence, the water absorption of the MDI-modified cassava residues/PBS composite was reduced to 26.94%. This technology has wide application potential in packaging, construction, and allied fields.

Exploration of Bis(Arylimidazole) Iridium Picolinate Complexes

2017 ◽  
Author(s):  
Aron Huckaba ◽  
sadig aghazada ◽  
iwan zimmermann ◽  
giulia grancini ◽  
natalia gasilova ◽  
...  
Keyword(s):  
Cyclic Voltammetry ◽  
Photophysical Properties ◽  
Structure Property ◽  
Aryl Group ◽  
Ligand Modification ◽  
Property Relationship ◽  
Structure Property Relationship

The straightforward synthesis and photophysical properties of a new series of heteroleptic Iridium (III) bis(2-arylimidazole) picolinate complexes is reported. Each complex has been characterized by NMR, UV-Vis, cyclic voltammetry, and the emissive properties of each is described. By systematically modifying first the cyclometallating aryl group on the arylimidazole ligand and then the picolinate ligand, the ramifications of ligand modification in these complexes was better understood through the construction of a structure-property relationship.

Exploration of Bis(Arylimidazole) Iridium Picolinate Complexes

2017 ◽  
Author(s):  
Aron Huckaba ◽  
sadig aghazada ◽  
iwan zimmermann ◽  
giulia grancini ◽  
natalia gasilova ◽  
...  
Keyword(s):  
Cyclic Voltammetry ◽  
Photophysical Properties ◽  
Structure Property ◽  
Aryl Group ◽  
Ligand Modification ◽  
Property Relationship ◽  
Structure Property Relationship

The straightforward synthesis and photophysical properties of a new series of heteroleptic Iridium (III) bis(2-arylimidazole) picolinate complexes is reported. Each complex has been characterized by NMR, UV-Vis, cyclic voltammetry, and the emissive properties of each is described. By systematically modifying first the cyclometallating aryl group on the arylimidazole ligand and then the picolinate ligand, the ramifications of ligand modification in these complexes was better understood through the construction of a structure-property relationship.

Quantitative Structure- Property Relationship (QSPR) Investigation of Camptothecin Drugs Derivatives

2018 ◽  
Vol 21 (7) ◽  
pp. 533-542 ◽  
Author(s):  
Neda Ahmadinejad ◽  
Fatemeh Shafiei ◽  
Tahereh Momeni Isfahani
Keyword(s):  
Thermodynamic Properties ◽  
Predictive Ability ◽  
Total Sample ◽  
Basis Sets ◽  
Quantitative Structure ◽  
Structure Property ◽  
Quantitative Structure Property Relationship ◽  
Chemical Structures ◽  
Property Relationship ◽  
Structure Property Relationship

Aim and Objective: Quantitative Structure- Property Relationship (QSPR) has been widely developed to derive a correlation between chemical structures of molecules to their known properties. In this study, QSPR models have been developed for modeling and predicting thermodynamic properties of 76 camptothecin derivatives using molecular descriptors. Materials and Methods: Thermodynamic properties of camptothecin such as the thermal energy, entropy and heat capacity were calculated at Hartree–Fock level of theory and 3-21G basis sets by Gaussian 09. Results: The appropriate descriptors for the studied properties are computed and optimized by the genetic algorithms (GA) and multiple linear regressions (MLR) method among the descriptors derived from the Dragon software. Leave-One-Out Cross-Validation (LOOCV) is used to evaluate predictive models by partitioning the total sample into training and test sets. Conclusion: The predictive ability of the models was found to be satisfactory and could be used for predicting thermodynamic properties of camptothecin derivatives.

Structure–property relationship of acceptor-substituted oligothiophenes

Tetrahedron ◽  
2010 ◽  
Vol 66 (45) ◽  
pp. 8729-8733 ◽  
Author(s):  
M.S. Wrackmeyer ◽  
M. Hummert ◽  
H. Hartmann ◽  
M.K. Riede ◽  
K. Leo
Keyword(s):  
Structure Property ◽  
Property Relationship ◽  
Structure Property Relationship ◽  
Relationship Of
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