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Chapter 2

The document discusses the chemical structures of biomaterials including metals, ceramics, and polymers. It describes the crystal structures of these materials like face-centered cubic, body-centered cubic, and hexagonal close-packed for metals. Common defects in crystal structures are also outlined. The structures of polymers are defined including repeat units, molecular weight, and various configurations. Several techniques for material characterization are briefly introduced such as X-ray diffraction, UV-Vis spectroscopy, infrared spectroscopy, nuclear magnetic resonance spectroscopy, mass spectrometry, and liquid chromatography.

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Lana Alakhras
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42 views34 pages

Chapter 2

The document discusses the chemical structures of biomaterials including metals, ceramics, and polymers. It describes the crystal structures of these materials like face-centered cubic, body-centered cubic, and hexagonal close-packed for metals. Common defects in crystal structures are also outlined. The structures of polymers are defined including repeat units, molecular weight, and various configurations. Several techniques for material characterization are briefly introduced such as X-ray diffraction, UV-Vis spectroscopy, infrared spectroscopy, nuclear magnetic resonance spectroscopy, mass spectrometry, and liquid chromatography.

Uploaded by

Lana Alakhras
Copyright
© © All Rights Reserved
We take content rights seriously. If you suspect this is your content, claim it here.
Available Formats
Download as PDF, TXT or read online on Scribd
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CHAPTER

2
Chemical Structure
Of Biomaterials

2.1 Introduction: Bonding and Structure of Biomaterials

Crystalline vs. Amorphous

2.2 Structure of Metals

2.2.1 Crystal Structures


Unit cell
Coordinate number
Atomic packing factor
(1) Face-centered cubic structure
(FCC)

a, cell edge length; r, atomic radius


(2) Body-centered cubic structure (BCC)

(3) Hexagonal close-packed (HCP)


2.2.2 Crystal Systems

lattice structures / lattice points / lattice parameters


Miller indices:

location of points

orientation of planes
Example Problem 2.2
2.2.3. Defects in Crystal Structure

(1) Point Defects


vacancy & self-interstitial
entropy increase
lattice strain

(2) Impurities
solid solution
a) interstitial solution
b) substitution solution (solute/solvent ratio)
Hume-Rothery rules
ex) alloys: strength, corrosion resistance, electrical properties
2.2.4. Solid State Diffusion

self-diffusion vs. inter-diffusion (impurity diffusion)

(1) Diffusion Mechanisms

atomic jumps

a) vacancy diffusion
b) interstitial diffusion

(2) Modeling of Diffusion

Diffusion flux and Conc. gradient


Fick’s 1st Law
2.3 Structure of Ceramics

ionic rather than atomic

2.3.1. Crystal Structures

Ceramic crystal structure


1) magnitude of the electrical charge
2) physical size of ions
rc < ra

Stability
---- Maximum ion’s coordinate number
--- rc/ra ratio
(1) AX crystal structures
the same charge, an equal number of A and X

(2) AmXp crystal structures


no equal charges between A and X
charge neutrality

ZSCAP ceramics
FECAP ceramics

(3) Carbon based materials


graphite (?)
pyrolytic carbon (heart valve)

single-walled nanotubes (SWNT)


multi-walled nanotubes (MWNT)

Degree of chirality or twist in SWNT


Ch = na1 + ma2
armchair tube / zigzag tube / chiral tube
mechanical reinforcement of biomaterials
2.3.2. Defects in Crystal Structures

(1) Point defects


Groups of defects (electroneutrality)

a) Schottky defect
vacancies in + and – in the correct ratio

b) Frenkel defect
vacancy/interstitial pair
(2) Impurities

solid solutions
substitutional solution
interstitial solution
electoneutrality
similar ions for substitution
otherwise, lattice compensation

diffusion of point defects and impurities

2.4. Structure of Polymers

hydrogen-carbon covalent bonds

2.4.1. General Structure

(1) Repeat Units

mer
Polymers
saturated vs. unsaturated

functionality
[bifunctional and trifunctional]

(2) Molecular weight determination

a) number-average mol. wt.

b) weight-average mol. wt.

c) polydispersity index (PI)


(3) Mer configuration

single macromolecule ---- multiple shapes

conformation and configuration

polymer configuration
[isotactic / syndiotactic / atactic]
(4) Polymer structure

linear / branched / crosslinked / network

2.4.2. Polymer Synthesis

(1) Additional polymerization

identical between mer and polymer


initiator requirement

1) initiation
2) propagation
3) termination

Free radical polymerization


Ionic polymerization
(2) condensation polymerization

step reaction

(3) polymer production


via genetic engineering

2.4.3. Copolymers

1) random copolymers
2) alternating copolymers
3) block copolymers
4) graft copolymers
2.4.4. Methods of Polymerization

(1) bulk polymerization


heat dissipation (highly exothemic)
(2) solution polymerization
small polymer yield / reaction volume
solvent removal
(3) suspension polymerization
small droplet reactor
(4) emulsion polymerization
polymer beads or rods
(5) gaseous polymerization
(6) solid-state polymerization
monomers in crystalline state
(7) plasma polymerization
uniform thin films of polymer

2.4.5. Crystal Structures and Defects

(1) Crystal structures [tacticity, degree of branching, bulk chain]


(2) Point defects and impurities
2.5. Techniques: Introduction to Material Characterization

spectroscopy and chromatography


2.5.1. X-ray Diffraction

X-ray: high energy electromagnetic radiation ---- core electrons


1) energy dispersive X-ray spectroscopy (EDS)
2) wavelength dispersive X-ray spectroscopy (WDS)
3) electron spectroscopy for chemical analysis (ESCA)
4) microcomputated tomography (mCT)

(1) Diffraction

constructive
same wavelength
2 x amplitude
(in-phase)
destructive
no diffraction
(out-of-phase)
(path-length difference)

partial reinforcement
most cases: no diffraction
certain atomic arrangement
--- diffraction

Miller indices (h, k, l)


interplanar distance dhkl

(2) instrumentation

aluminum powder

intensity vs. 2q
(3) Information provided

size and geometry of a unit cell


atomic arrangement
2.5.2 Ultraviolet and Visible Light Spectroscopy

(1) UV-VIS
a) absorption
b) relaxation

(2) Instrumentation

poly(lactic-co-glycolic acid) PLGA


Transmittance
Absorbance

(3) Information provided

a) identification of chemical
groups
b) quantitation of
the light absorbing species

Beer-Lambert’s Law
2.5.3. Intrared spectroscopy

ball and spring model

Freq of IR radiation
= Freq of bond vibration

bond with permanent dipole

Mode of vibrations
a) stretching
b) bending
c) rocking

Different freq for different chemical groups


(2) Instrumentation

% transmittance vs. wavelength


FT-IR
mirrors of interferometer
short scan time --- # of scans --- high signal-to-noise ratio

(3) Information provides


a) quantification of substances
b) molecular fingerprint
c) relative change over time of certain peaks
2.5.4. Nuclear Magnetic Resonance Spectroscopy

changes in spin-state of nucleus under strong magnetic field


resonance frequency

shielding effect vs. deshielding effect

molecular structure
(2) Instrumentation

maintaining a constant magnetic field


varying the frequency of radiowaves

(3) Information provided

inorganic and organic molecules


types of bonds
chemical shifts
polymer after synthesis
product quality and purity
2.5.5. Mass Spectrometry
(1) Basic principles
atomic and molecular masses
deflection of charged species under magnetic field

(2) Instrumetation

(3) Information provided


isotope ratios
strength of various bonds

SIMS
2.5.6. High Performance Liquid Chromatography

(1) Size exclusion chromatography

mobile and stationary phase


elution

a) diffusion
b) phase transition
c) Eddie diffusion

(2) Instrumentation

Gel filtration chromatography


Gel permeation chromatography
(3) Information provided

molecular wt.

Ion-exchange chromatography
affinity chromatography
reversed-phase chromatography
hydrophobic interaction
chromatography

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