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Virtual Formulation Laboratory for prediction and optimisation of manufacturability of advanced solids based formulations Powder Flow 2018: Cohesive Powder Flow organised by Formulation Science and T echnology group (FSTG) of the Royal
Powder Flow 2018: Cohesive Powder Flow
Formulation Science and T echnology group (FSTG) of the Royal Society of Chemistry 12 April 2018 Burlington House, London
M olecule level information Particle level information Prediction of flow/ arching, flooding Prediction of mixing/ segregation Prediction of storage/ caking Prediction of compact/ breakage
Hierarchical input structure
Bulk level information
M anufacturability indicators (M I)
Facet specific surface energy using Contact angle
Single Probe Gas Pulse Packed Samples (Powder) Single Peak (Retention Time, tr)
Surface energy determination using IGC Anisotropy in crystalline solids (Heterogeneous surfaces) Surface energy heterogeneity using Finite Dilution IGC (FD-IGC)
Surface energy (mJ/ m2) Surface Coverage (%)
Surface energy heterogeneity profile
Dr M ehrdad Pasha, Dr Xiaodong Jia and Prof. M ojtaba Ghadiri
Single particle characterisation Particle assembly behaviour prediction by DEM Experimental validation VFL Toolkit development in a collaborative way
Tablet compaction modeling FEA - ABAQUS Solving equations:
Geometry
Tablet image
Loading schedule
Sequence of punch motion
Initial conditions
Die fill
Constitutive M odel
State variables
Friction
Dependencies
Contact stress between particles X-ray CT particle assembly Numerical constitutive law
Dr Pablo Garcia Trinanes, Dr Rob Berry and Prof. M ichael Bradley
(voidage)
Discr et e E lement Met hod
E xper iment s
Flowability | Segregation | Mixing
VFL TOOLKIT
Sur face Adhesion Drop Test M ethod Indentation Par t icle Size Dynamic Imaging Image Analysis D ensit y X-Ray Tomography M ercury Porosemitry Par t icle Shape X-Ray Tomography Dynamic Imaging Plasticit y Indentation Compaction
PRODUCT PE RFORMANCE
3
Single Particles M esoscopic
Factors under Consideration
Surface Adhesion
Method
Malvern G3 Morphologi disperser.
detachment of particles is observed by image analysis.
detached and attached particles on the surface of the target
Schematic Calculations L
πRΓ 2 3 Δt mv F F
ad d
= =
smallest detached particle+largest attached particle 2 R =
Surface Adhesion
After Drop Test
Largest Intact Smallest Detached
Leeds Drop Test Method: Results
M aterials: Glass Ballotini (90 – 200 µm), Glass Plate (5 mm in diameter), Steel Plate (5 mm in diameter) Interactions: 1) Silanised Glass Ballotini vs Silanised Glass Ballotini/ Plate (S GB-S GB) 2) Silanised Glass Ballotini vs Non-Silanised Glass Ballotini/ Plate (SGB- NSGB) 3) Silanised Glass Ballotini vs. Steel Plate (SGB-S P)
SGB – SGB SGB – NSGB SGB – SP
2
27.4
SGB SGB
mJ m
−
Γ =
2
20.6
SGB NSGB
mJ m
−
Γ =
2
24.4
SGB SP
mJ m
−
Γ =
Drop T est Results
Effect of Particle Size: Material
850 – 1000 μm
q
Two size classes of glass ballotini were chosen:
v
425 – 500 µm (on the left)
v
850 – 1000 µm (on the right)
425 – 500 μm
10S_90L
Surface Mid Plane
50S_50L
Surface Mid Plane
90S_10L
Mid Plane Surface
Effect of Particle Size: Material
Three mixtures are considered as follow based on number ratio
q 10% (425 – 500 µm) & 90% (850 – 1000 µm)
referred to 10S_90L
q 50% (425 – 500 µm) & 50% (850 – 1000 µm)
referred to 50S_50L
q 90% (425 – 500 µm) & 10% (850 – 1000 µm)
referred to 90S_10L
Effect of Particle Adhesion: Downward Test Results
100NA 75NA_ 25A 50NA_ 50A 25NA_ 75A 100A
Effect of Particle Adhesion: Downward Test Results Number Fraction NSGB [%] Number Fraction SGB [%] Flow Energy [mJ ]
100 132.3 75 25 137.4 50 50 138.5 25 75 145.9 100 148.7
The Approach of Capece et al.*
Flow Function and Granular Bond Number For M ulti-Component Powder Bed
, , c mix g mix
β
−
where α and β are the fitting parameters
α is the flow function at the
cohesive-non-cohesive boundary (Bog,mix=1)
1 , 1 1 , N N ij g Mix i j g ij
w Bo Bo
− = =
=
, ,ij ad ij g ij
F Bo W =
2
i j ij i j
WW W W W = +
, , ij SA i SA j
wij is the interaction weighting factor fS
A is the fractional surface
area that gives the likelihood that the two material (i and j) come into contact
* Capece et al. (2015), Powder Technology 286 561–571
Aspects under investigation:
Parameters Basic Value Value range Geometry Length (mm), L
10
60 30-180
Width (mm), W
2
0.6 0.4-1.0
Gas (air) Density (kg/ m3), ρf
1.2
1.8×10-5
Diameter (mm), dp Fine particle, dp,f
0.1375
0.275 0.275, 0.55
Density (kg/ m3), ρ Fine particle, dp,f
1300
1300 1300, 7800
Volume fraction of fine particle, xf
0.1
0.3
10
0.42
0.5
Effect of Inlet Ratio
IR=0.4 (a-c), IR=0.6 (d-e), IR=0.8 (f-h) and IR=1.0 (j-k)
Effect of the inlet ratio on the vertical segregation index
particle surfaces, structures and bulk behaviour to address physical, chemical and mechanical properties and behaviour during processing and storage
manufacturability (through experimental characterisation and numerical modelling)
materials through developing functional relationships, considering the limits and uncertainties