Computational Modeling of Intelligent Soft Matter: Shape Memory Polymers and Hydrogels

Front Cover
Computational Modeling of Intelligent Soft Matter
Copyright Page
Dedication
Contents
About the authors
Preface
Acknowledgments
1 Intelligent soft matters: need for numerical modeling in design and analysis
Chapter outline
1.1 Introduction
1.2 Applications of shape memory polymers
1.2.1 Biomedical applications
1.2.2 Aerospace application
1.2.3 Textile application
1.2.4 Automotive application
1.2.5 Other applications
1.3 Smart hydrogel applications
1.3.1 Tissue engineering
1.3.2 Drug delivery
1.3.3 microfluidic valves
1.3.4 Hydrogels for wound dressing
1.3.5 Hydrogel and cancer therapy
1.3.6 Hydrogels and water treatment
1.3.7 Hydrogels and contact lens products
1.3.8 Hydrogels and agriculture
1.3.9 Hydrogels and biosensors
1.3.10 Hydrogels and hygiene products
1.4 Numerical modeling in design and analysis of intelligent soft matters
References
2 A detailed review on constitutive models for thermoresponsive shape memory polymers
Chapter outline
2.1 Introduction
2.2 Classification of temperature-dependent polymers
2.2.1 Thermoset and thermoplastic polymers
2.2.2 The effect of temperature on thermoset and thermoplastic polymers
2.3 The molecular structure of shape memory polymers and their classification
2.3.1 Chemical structure of shape memory polymers
2.3.2 Classification of shape memory polymers
2.3.2.1 Conventional shape memory polymers
2.3.2.2 Two-way shape memory polymers
2.3.2.3 Multishape memory polymers
2.4 Modeling thermoresponsive shape memory polymers
2.4.1 Modeling of conventional thermally activated shape memory polymers
2.4.1.1 Constitutive models of shape memory polymer under thermoviscoelastic approach
2.4.1.2 Constitutive models of shape memory polymer based on phase transition approach
2.4.1.3 Constitutive models of shape memory polymer under other approaches
2.4.2 Modeling of two-way thermally activated shape memory polymer
2.4.3 Modeling of thermally activated multishape memory polymer
2.5 Statistical analysis of available shape memory polymer models
2.6 Summary and conclusion
References
3 Experiments on shape memory polymers: methods of production, shape memory effect parameters, and application
Chapter outline
3.1 Introduction
3.2 Methods of shape memory polymer production
3.2.1 Melt mixing
3.2.2 Solution mixing
3.2.3 Additive manufacturing
3.2.4 Shape memory characterization in combined torsion–tension loading
3.2.4.1 Materials
3.2.4.2 Sample preparation
3.2.4.3 Differential scanning calorimetry
3.2.4.4 Dynamic mechanical thermal analysis
3.2.4.5 Shape memory behavior
3.3 Investigation on structural design of shape memory polymers
3.3.1 Structural (geometrical) design
3.3.2 Method of sample production
3.3.2.1 Material
3.3.2.2 Additive manufacturing
3.3.2.3 The effect of 3D printing on shape memory polymer response
3.3.3 Characterization of printed material
3.3.4 Thermomechanical shape memory tests
3.3.4.1 Bending and tensile shape memory test
3.3.4.2 Shape memory effect in water
3.3.4.3 Shape recovery tests
3.3.4.4 Force recovery tests
3.4 Shape memory polymer stent as an application
3.4.1 Materials
3.4.1.1 Blending and forming
3.4.2 Stent fabrication
3.4.2.1 Differential scanning calorimetry
3.4.2.2 Dynamic-mechanical thermal analysis
3.4.2.3 Shape memory effect
3.4.3 Stent radial compression
3.4.3.1 Stent force recovery
3.5 Summary and conclusion
References
4 Shape memory polymers: constitutive modeling, calibration, and simulation
Chapter outline
4.1 Introduction
4.2 Macroscopic phase transition approach
4.2.1 Strain storage and recovery
4.2.2 Thermodynamic considerations
4.2.3 Extension of the model to the time dependent regime
4.2.4 Numerical solution of the constitutive model
4.2.5 Consistent tangent matrix
4.2.6 Hughes–Winget algorithm: large rotation effects
4.2.7 Material parameters identification
4.2.8 Material model predictions
4.3 Shape memory polymer constitutive model through thermo-viscoelastic approach
4.3.1 Strain-dependent part of the stress
4.3.2 Time-dependent part of the stress
4.3.3 Temperature-dependent modification of the stress
4.3.4 Solution of shape memory polymer’s response in a shape memory polymer path
4.3.4.1 Applying the desired deformation (loading step)
4.3.4.2 Temporal shape fixation (cooling step)
4.3.4.3 Constraint removal (unloading step)
4.3.4.4 Shape and force recovery (reheating step)
4.3.5 A time-discretization scheme for constitutive equations
4.3.6 Material parameters identification
4.3.7 Solutions development for torsion–extension of SMP
4.4 Summary and conclusion
References
5 Shape memory polymer composites: nanocomposites and corrugated structures
Chapter outline
5.1 Introduction
5.2 Modeling and homogenization of shape memory polymer nanocomposites
5.2.1 Constitutive equations for shape memory polymer based on phase transition
5.2.2 3D modeling and numerical considerations
5.2.3 Numerical results
5.3 Numerical homogenization of coiled carbon nanotube-reinforced shape memory polymer nanocomposites
5.3.1 Constitutive model of shape memory polymer based on thermo-viscoelasticity
5.3.1.1 Representative volume element construction
5.3.2 Finite element model
5.3.2.1 Determination of representative volume element size
5.3.3 Numerical results and discussion
5.3.3.1 The effect of volume fraction of coiled carbon nanotube on SMPC
5.3.3.2 The effect of spring length of coiled carbon nanotube (or aspect ratio)
5.3.3.3 Effect of the pitch of coiled carbon nanotube (or the number of coils)
5.3.3.4 The effect of orientation of coiled carbon nanotube
5.3.3.5 The effect of heating rates and prestrain
5.4 Thermomechanical behavior of shape memory polymer beams reinforced by corrugated polymeric sections
5.4.1 Shape memory polymer constitutive model based on phase transition concept
5.4.2 Bending of a reinforced shape memory polymer beam
5.4.3 Numerical results and discussion
References
6 Shape memory polymer metamaterials based on triply periodic minimal surfaces and auxetic structures
Chapter outline
6.1 Shape memory polymer metamaterials based on triply periodic minimal surfaces
6.1.1 Introduction
6.1.2 Materials and methods
6.1.2.1 Generation and modeling of microstructures
6.1.2.2 Shape-memory effect modeling using thermovisco-hyperelastic model
6.1.2.2.1 Geometry generation
6.1.3 Results and discussion
6.1.3.1 Shape recovery
6.1.3.2 Shape fixity
6.1.3.3 Force recovery
6.1.3.4 Mechanical properties
6.1.3.5 Potential application areas
6.2 Numerical investigation of smart auxetic 3D metastructures based on shape memory polymers via topology optimization
6.2.1 Introduction
6.2.2 Geometrical modeling of an representative volume element
6.2.3 Finite element analysis of shape memory polymer microstructure
6.2.3.1 Determination of elements size
6.2.4 Results and discussion
6.2.4.1 Comparing positive Poisson’s ratio and negative Poisson’s ratio structures
6.2.4.2 The effect of prestrain on the response of negative Poisson’s ratio structure
6.2.4.3 The effect of loading type on negative Poisson’s ratio structure
6.2.4.4 The effect of temperature rate on negative Poisson’s ratio structure
6.3 Summary and conclusions
References
7 A review on constitutive modeling of pH-sensitive hydrogels
Chapter outline
7.1 Introduction
7.2 Applications of pH-sensitive hydrogels
7.2.1 Drug delivery
7.2.2 Soft actuators
7.2.3 Control of microfluidic flow
7.3 Swelling/deswelling phenomena
7.3.1 Conservation of mass
7.3.2 Chemical reaction
7.3.3 Ion transfer
7.3.4 Electrical field
7.3.5 Fluid flow
7.3.6 Mechanical field
7.4 Swelling theories
7.4.1 Monophasic models
7.4.2 Multiphasic models
7.5 Numerical implementation
7.6 Experiments
7.7 Summary and conclusions
References
8 Equilibrium and transient swelling of soft and tough pH-sensitive hydrogels: constitutive modeling and FEM implementation
Chapter outline
8.1 An equilibrium thermodynamically consistent theory
8.2 Transient electro-chemo-mechanical swelling theory
8.2.1 Large deformation theory
8.2.2 Chemical field
8.2.3 Electrostatic field
8.2.4 Continuity of ions
8.2.5 Mechanical field
8.2.6 Initial and boundary conditions
8.3 Numerical solution procedure
8.3.1 Development of weak form
8.3.2 Development of time and space discretization
8.3.3 Residuals and tangent moduli
8.4 Results and discussion
8.4.1 Equilibrium swelling
8.4.2 Inhomogeneous deformations
8.4.3 Analytical solution
8.4.3.1 Numerical implementation
8.4.4 Numerical results for transient swelling response of pH-sensitive hydrogels
8.4.4.1 Free swelling
8.4.4.2 Constrained swelling
8.4.5 Numerical predictions of the visco-hyperelastic constitutive model for tough pH-sensitive hydrogels
8.5 Summary and conclusion
References
9 Structural analysis of different smart hydrogel microvalves: the effect of fluid–structure interaction modeling
Chapter outline
9.1 Introduction
9.2 Different constitutive models’ description
9.2.1 Swelling theory of thermal-sensitive hydrogels
9.2.2 A stationary swelling theory for pH-sensitive hydrogels
9.2.3 A transient theory for pH-sensitive hydrogels
9.2.4 Coupled fields in fluid–structure interaction modeling
9.3 Results and discussion
9.3.1 Results for fluid–structure interaction analysis of temperature-sensitive hydrogel valves
9.3.1.1 Hydrogels characteristics
9.3.1.2 Multimicrovalves in a channel
9.3.2 Results for stationary response of pH-sensitive hydrogels
9.3.2.1 Fluid–structure interaction procedure
9.3.2.2 Analytical solution
9.3.2.3 One hydrogel jacket microvalve fluid–structure interaction
9.3.2.4 Three jackets’ microvalve fluid–structure interaction
9.3.3 Transient results of the pH-sensitive hydrogel valve
9.3.3.1 FEM implementation procedure
9.4 Summary and conclusions
References
Index
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