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COSMO-RS and process simulation: from physical properties to environmental impact …
Maurizio Fermeglia & Sabrina Pricl
MOSE Lab, Department of Chemical Engineering, University of Trieste, Italy
COSMO-RS and process simulation: from physical properties to environmental impact … and beyond.
Maurizio Fermeglia & Sabrina Pricl
MOSE Lab, Department of Chemical Engineering, University of Trieste, Italy
Bergisches Land, 11 April 2023 - slide 4Cosmologic Symposium 2009
MeccanicaQuantistica(elettroni)
Meccanicamolecolar
e(atomi)
Modellazionedi
mesoscala(insiemi di
atomi o molecole)
Simulazione di
processo
FEM
Engineering design
1Å
Characteristic Length
1nm 1μm 1mm 1m
years
seconds
nanoseconds
picoseconds
femtoseconds
QuantumMechanics(electrons)
MolecularMechanics
(atoms)
Mesoscale modeling
(segments)
Process Simulation
FEM
Engineering design
1Å
Characteristic Time
1nm 1μm 1mm 1m
hours
minutes
microseconds
Multiscale Molecular Modeling
Message passing multiscale modeling
Reverse mapping
Bergisches Land, 11 April 2023 - slide 5Cosmologic Symposium 2009
Outline of talkIntroduction
Multiscale Molecular Modeling
Applications EOS parameter estimation for pure components and
mixtures Physical properties calculations for alternative
refrigerants Prediction of solvent effect in enzymatic reactions Prediction of toxicological data to be used in process
simulation Direct calculation of mesoscale parameters (DPD and
Mesodyn)
Conclusions
Bergisches Land, 11 April 2023 - slide 6Cosmologic Symposium 2009
Molecular Modeling (MM)
DFT/COSMO RS Calculations
Molecular Volume and Surfaces
Vapor Pressure &Activity coeff.Estimation
EOS Parameters (PHSCT) pure & mixture
Thermophysical Properties
Structural and Physico-chemical Data
Prediction of EOS parameters
M. Fermeglia, S. Pricl, AIChE Journal 47: 2371-2382 (2001)
Bergisches Land, 11 April 2023 - slide 7Cosmologic Symposium 2009
A* = r 2NA
From molecular area A
V* = (/6) r 3NA
From molecular volume V
E* = r (/k) Rg
From A*, V* and Ek/Ep
From A*, V* and P0
3 parameters: r, a and b
3 parameters: , /k and r
recasting
PHSCT EOS: pure components
111 2
Re
dgrdgbrkT
P
f
Bergisches Land, 11 April 2023 - slide 8Cosmologic Symposium 2009
The PHSCT EOS – mixtures
m
ijijji
rm
iiiiiiijijijj
m
jiir
r
akT
dgdgbkT
P)(
11)(1
,
ij
bijijij
kTFb 3
3
2
2
σσσ ji
ij
ijjiij k 1εεε
ij
aijijij
kTFa 3
3
2
Bergisches Land, 11 April 2023 - slide 9Cosmologic Symposium 2009
Connolly dot surface algorithm corrected for quantum effects
Molecular volumes and surfaces of HCCs and HCFCs
Molecular volumes and surfaces of CH4 as reference
A*, V*
Simulation ProtocolPure Components
Mixtures Gibbs Energy calculation using COSMO RS for binary
mixtures .. estimation of binary kij
M. Fermeglia, S. Pricl, AIChE Journal 47: 2371-2382 (2001)
Bergisches Land, 11 April 2023 - slide 10Cosmologic Symposium 2009
Chloro – Fluoro HydrocarbonsPure compounds C3H8 (R290) C3H2F6 (R236fa) C3H2F6 (R236ea) CH2F2 (R32) C2HF5 (R125) C3H3F5 (R245fa) C2H2F4 (R134a) C3OF8 (E218 ) C2SF6 C2OH6 (RE170)
Mixtures R32-R134a @293,343K R32-R236ea @288,303,318K R32-R236fa @303,323K R32-R245 @303K R32-C2SF6 @250K R32-E218 @214,240K R32-RE170 @249K R125-R134a @283K R125-R236ea
@288,303,318K R125-R236fa @303,323K R125-R245 @298,313K R290-R236fa
@283,303,323K R290-R245 @298,313K
Bergisches Land, 11 April 2023 - slide 11Cosmologic Symposium 2009
R20 CHCl3
R40 CH3Cl
R143a C2H3F3
0
5
10
15
20
25
30
35
40
100 200 300 400
T (K)
P0 (
ba
r) R114 C2Cl2F4
R125 C2HF5
R13 CClF3
Pure component prediction
Bergisches Land, 11 April 2023 - slide 12Cosmologic Symposium 2009
CFHs PVT VLE P range
(bar) T range
(K) AD (%)
Range P0 (bar)
AD P0 (%)
AD VL (%)
R13 5 - 20 150-240 1.79 0.03 - 15.93 3.36 2.35 R14 6 - 20 110 - 200 1.93 0.07 - 15.50 1.71 2.27 R21 3 - 10 220 - 310 1.69 0.03 - 23.96 3.08 3.05 R22 5 - 20 250 - 340 1.59 1.77 - 19.82 4.62 1.16 R23 2 - 10 200 - 290 1.65 0.03 - 20.02 5.98 1.78 R32 12 - 98 253 - 333 3.74 3.47 - 8.64 4.33 2.66 R123 1.013 203 - 393 0.622 0.12 - 21.022 3.30 4.29 R134a 8 - 20 285 - 374 1.79 2.16 - 4.27 5.34 0.772 R142b 1.03 - 3.45 266 - 350 1.90 1.14 - 6.20 2.10 1.01 Fermeglia and Pricl, Fluid Phase Equilibria, 158, 49-58, 1999
Fermeglia and Pricl, Fluid Phase Equilibria, 166, 21-37, 1999
Refrigerants: VLE and PVT predictions
Bergisches Land, 11 April 2023 - slide 13Cosmologic Symposium 2009
0
5
10
15
20
25
0 0.2 0.4 0.6 0.8 1
x,y
Vp
(bar
)
R125/[email protected]@303.2K@318K
0
5
10
15
0 0.2 0.4 0.6 0.8 1
x,y
Vp
(bar
)
R290/R245@[email protected]
EOS predictions – mixtures
M. Fermeglia, S. Pricl, AIChE Journal 47: 2371-2382 (2001)
Bergisches Land, 11 April 2023 - slide 14Cosmologic Symposium 2009
R32/R236fa@303K@323K
0
5
10
15
20
25
30
35
0 0.2 0.4 0.6 0.8 1
x,y
Vp
(bar
)
EOS predictions – mixtures
0
0.5
1
1.5
2
2.53
3.5
4
4.5
5
0 0.2 0.4 0.6 0.8 1
x,y
Vp
(bar
)
M. Fermeglia, S. Pricl, AIChE Journal 47: 2371-2382 (2001)
R32/C2SF6@250K
Bergisches Land, 11 April 2023 - slide 15Cosmologic Symposium 2009
Results for mixtures
System T [K] RMSD Pv RMSD Y
hfc32-hfc134a 293 3.7 0.043
343 7.8 0.055
hfc32-hfc236ea 288 2.3 0.011
303 5.4 0.003
318 7.9 0.009
hfc32-hfc236fa 303 5.6 0.003
323 8.6 0.01
hfc125-hfc134a 283 0.8 0.014
hfc125-hfc236ea 288 0.6 0.009
303 1.1 0.009
318 2.7 0.015
hfc125-hfc236fa 303 1.3 0.009
323 3.6 0.018
hfc125-hfc245 298 0.7 0.006
313 1.3 0.01
r290-hfc236fa 283 1.7 0.011
303 3.1 0.018
323 7.5 0.047
r290-hfc245 298 5 0.016
313 17.1 0.103
AVERAGE 4.39 0.02095
Bergisches Land, 11 April 2023 - slide 16Cosmologic Symposium 2009
Process simulationThe EOS is applied to simulate the process Production of R 134a
R-1P-1
E-1
M-1
V-2
P-2
V1
SP-1
E-2
M-2E-3
E-4 C-1
S15IN
S16
S17
S2
S16IN
S3
S4
S6S7
S5
S8
S9 S9IN
S10 S11
S1
E-5
S12
C-2S13
S14
S15
S18
S19
S20
F-1
T-2
S20OUT
S21
E-6
S22
R-2
T-1
Bergisches Land, 11 April 2023 - slide 17Cosmologic Symposium 2009
Outline of talkIntroduction
Multiscale Molecular Modeling
Applications EOS parameter estimation for pure components and mixtures Physical properties calculations for alternative refrigerants Prediction of solvent effect in enzymatic reactions Prediction of toxicological data to be used in process
simulation Direct calculation of mesoscale parameters (DPD and Mesodyn)
Conclusions
Bergisches Land, 11 April 2023 - slide 18Cosmologic Symposium 2009
Sustainability evaluation (of a process)…
Optimize the process at design time
Cleaner production no end of pipes
Process simulatorToxicological data
prediction from MM
From Martins, 2006
SocietyEcologyEconomy
Sustainable DevelopmentSustainable DevelopmentSustainable DevelopmentSustainable Development
Economy
Environment
Society
3D
2D
2D
2D
1D 1D
1DFermeglia M., Longo G., Toma L., AIChE J (2009)
Bergisches Land, 11 April 2023 - slide 19Cosmologic Symposium 2009
PSP frameworkCollaboration with
Process Simulator Database
CAPE OPEN Unit Operation
Modules
Data
Data regarding streams
Data regarding the substances involved in
the process
Types of streams Mass flow rate Substances
name Substances
CAS-Number
Risk Phrases for each
substance
Process input stream
Process output stream containing the main product
Process output stream containing
salable co-products
Process waste stream
PSPFramework
3D indicators 1D indicators
Material intensity
Energy intensity
Potential chemical risk
evaluation
Potential environmental impact
evaluation
Waste Reduction (WAR)
Algorithm
Sustainability evaluation
Additional data introduced on the interface
Bergisches Land, 11 April 2023 - slide 20Cosmologic Symposium 2009
3D
Process Simulators
CAPE OPEN (CoLan)
Toxicological data
Process Design
Molecular Modeling
1D
Indexes
PSP Framework
PSP framework & Indexes
Environmental Impact
Categories
Global Atmospheric
Global Warming Potential(GWP)
Acidification Potential
(AP)
Ozone Depletion Potential(ODP)
Photochemical Oxidation Potential(PCOP)
Local Toxicological
Human Toxicity Potential by
Ingestion (HTPI)
Human Toxicity Potential by
Inhalation and Dermal Exposure
(HTPE)
Aquatic Toxicity Potential
(ATP)
Terrestrial Toxicity Potential
(TTP)
Bergisches Land, 11 April 2023 - slide 21Cosmologic Symposium 2009
Molecular modeling
Fermeglia M., Longo G., Toma L., AIChE J (2009)
Environmental Impact categories
Thermo-physical properties used in the Environmental
Impact Indexes calculation
Molecular methods used for the
calculation of thermo-physical
properties
Software used for the calculation of thermo-physical
properties
GWP ODP PCOP AP HTPE HTPI TTP ATP
Radiative Efficiency
Lifetime of the compound in the
atmosphere
Reaction rate with ozone
Reaction rate with hydroxyl
Lethal dose
Lethal concentration
Qunatum Mechanics
SAR QSARMonte Carlo
CERIUS2MS
ModelingAOP
(by EPA)
Kow
PCLOGP
CosmoTherm
KOWWIN
ClogP
ECOSAR
ALOGPS
logKOW
TOPKAT
Release rate of
H+
AUTOLOG
MolecularDynamics
Bergisches Land, 11 April 2023 - slide 22Cosmologic Symposium 2009
Octanol-water partition coefficient
Kow is used to calculate different properties
phaseaqueousinionconcentrat
phaseoctanolinionconcentratKow
Soil/sediment adsorption coefficients
Bioconcentration
Human Toxicity Potential
Terrestrial Toxicity Potential
Kow
Aquatic Toxicity Potential
Ingestion
Inhalation
Dermal Exposure
Fermeglia M., Longo G., Toma L., Env.Progress (2008)
Bergisches Land, 11 April 2023 - slide 23Cosmologic Symposium 2009
Substance
logKow(exp)
logKow calculated
logKow RAD
QSAR COSMO RS
QSAR COSMO RS
Methanol -0.77 -0.63 -0.73 0.1818 0.0529
Naphthalene
3.3 3.17 3.09 0.0393 0.0625
Phenol 1.46 1.51 1.42 -0.0342 0.0192
Chloroform 1.97 1.52 2.1 0.2284 -0.066
Toluene 2.73 2.54 2.65 0.0696 0.0275
Anisole 2.11 2.07 2.23 0.0189 -0.0555
Methyl Ethyl Chloride
1.25 1.34 1.26 -0.072 0.0073
Benzene 2.13 1.99 2.1 0.0657 0.0121
Methane 1.09 0.78 1.02 0.2844 0.0677
Ethane 1.81 1.32 1.63 0.2707 0.0984
Propane 2.36 1.81 2.18 0.2330 0.0077
Benzoic Acid
1.87 1.87 2.24 0 -0.1967
Kow-Results
The relative absolute deviation (RAD) between the experimental and the predicted method (QSAR e COSMO RS) has been calculated
The error has lower values for when Kow is calculated using
COSMO RS
alexperiment
calculatedalexperiment
Kow
KowKowRAD
log
loglog
Bergisches Land, 11 April 2023 - slide 24Cosmologic Symposium 2009
Thermo-physical property
Available MM
methods
Used MM methods
Results
Octanol Water partition coefficient
FEP+MC+MD QSAR 0-28.44%
FEC+EEM
MC
QSAR
CSM COSMO RS 0.73-9.84%
Life time SAR SAR 2.35-44.7%
Reaction rate with Ozone
SAR SAR 0-50%
Reaction rate with hydroxyl
GCM GCM 0.75-44.3%
ab-initio
QSAR QSAR 0-40.2%
Bergisches Land, 11 April 2023 - slide 25Cosmologic Symposium 2009
Processes developed and analyzed with PSP Framework
Acrylic Acid production processSweetening natural gas by DGA absorptionFormaldehyde production processPhthalic Anhydride production processMaleic Anhydride Production processDimethylether production processDimethylformamide production processR134a production process
Process from the scientific literature
Chemical Plants situated in the developing countries
Fuel Ethanol production from sugar cane molasses (Cuba)
Multiple Effect of Sugar Cane Juice (Mexico)
Electroplating wastewater discharge process (Russia)
Bergisches Land, 11 April 2023 - slide 26Cosmologic Symposium 2009
R-134a Production Process
R-1P-1
E-1
M-1
V-2
P-2
V1
SP-1
E-2
M-2E-3
E-4 C-1
S15IN
S16
S17
S2
S16IN
S3
S4
S6S7
S5
S8
S9 S9IN
S10S11
S1
E-5
S12
C-2S13
S14
S15
S18
S19
S20
F-1
F-2
S20OUT
S21
E-6
S22
R-2
T-1
Cooling water in
P-2
Water out
P-5
Case2
Case3 R-1P-1
E-1
M-1
V-2
P-2
V1
SP-1
E-2
M-2E-3
C-1
S15IN
S16
S17
S2
S16IN
S3
S4
S6S7
S5
S8
S9 S9IN
S10 S11
S1
E-5
S12
C-2S13
S14
S15
S18
S19
S20
F-1
F-2
S20OUT
S21
E-6
S22
R-2
T-1
Base CaseR-1P-1
E-1
M-1
V-2
P-2
V1
SP-1
E-2
M-2E-3
E-4 C-1
S15IN
S16
S17
S2
S16IN
S3
S4
S6S7
S5
S8
S9 S9IN
S10S11
S1
E-5
S12
C-2S13
S14
S15
S18
S19
S20
F-1
T-2
S20OUT
S21
E-6
S22
R-2
T-1
Fermeglia M., Longo G., Toma L., AIChE J (2009)
Bergisches Land, 11 April 2023 - slide 27Cosmologic Symposium 2009
3D Results: production of R-134a
A) Material IntensityB) Energy IntensityC) Potential
Chemical RiskD) Potential
Environmental Impact
Environmental Results using 3D Indicators
0
100
200
300
400
500
600
700
800
1
cases
MI v
alu
es Case1
Case2
Case3
Environmental Results using 3D Indicators
0
1
2
3
4
5
6
1
cases
EI v
alu
es Case1
Case2
Case3
Environmental Results using 3D Indicators
0
200000
400000
600000
800000
1000000
1200000
1400000
1
cases
PC
R v
alu
es Case1
Case2
Case2
Environmantal Results using 3 d Indicators
0
200
400
600
800
1000
1200
1400
1600
1800
2000
1
cases
PE
I val
ues Case1
Case2
Case3
A B
C D
Bergisches Land, 11 April 2023 - slide 28Cosmologic Symposium 2009
3D Results: production of R-134a
A) IoutB) Iout /product massC) IgenD) Igen/product mass
Note: the energy production process is considered
Environmental Results using 1D Indicator
450
460
470
480
490
500
510
520
530
540
1
cases
Iou
t(P
EI/h
r) Case1
Case2
Case3
Environmental Results using 1D Indicator
0.215
0.22
0.225
0.23
0.235
0.24
0.245
0.25
0.255
0.26
1
cases
Iou
t_m
p(P
EI/k
g)
Case1
Case2
Case3
Environmantal Results using 1D Indicator
-10600
-10590
-10580
-10570
-10560
-10550
-10540
-10530
-10520
-10510
1
cases
Igen
(PE
I/hr) Case1
Case2
Case3
Environmantal Results using 1D Indicator
-5.12
-5.115
-5.11
-5.105
-5.1
-5.095
-5.09
-5.085
-5.08
-5.075
1
cases
Igen
_mp
(PE
I/kg
)
Case1
Case2
Case3
A B
C D
Bergisches Land, 11 April 2023 - slide 29Cosmologic Symposium 2009
Outline of talkIntroduction
Multiscale Molecular Modeling
Applications EOS parameter estimation for pure components and mixtures Physical properties calculations for alternative refrigerants Prediction of solvent effect in enzymatic reactions Prediction of toxicological data to be used in process simulation Direct calculation of mesoscale parameters (DPD and
Mesodyn)
Conclusions
Bergisches Land, 11 April 2023 - slide 30Cosmologic Symposium 2009
Polymer blend PC - ABS
Rear lamp of the FIAT Idea
Recycling of industrial scrapsPC/ABS blends are promising for rear lamps
PC: transparency and good mechanical properties ABS: reflecting properties, lower viscosity
Side view Front view
Bergisches Land, 11 April 2023 - slide 31Cosmologic Symposium 2009
Mesoscopic Dynamics (MesoDyn)real system = ideal system + an effective external
potential + non ideal term
polymer chain is the fundamental building block of the model
The ideal term is described by non interacting Gaussian chains
it allows a factorization of the interactions hence is computationally very efficient
The non – ideal term takes into account interchain, i.e., non-bonded, interactions Interchain reactions
The molecular ensemble is represented by n Gaussian chains, made up of m beads of types J with a total number of N beads per chainFraaije, J.G.E, et al., J. Chem. Phys. 106(10), 1997
Bergisches Land, 11 April 2023 - slide 32Cosmologic Symposium 2009
Mesoscopic Dynamics (MesoDyn)Free energy equation = ideal + external potential + non ideal
The nonideal term (interaction among chains)
where εIJ(r-r‘) is a cohesive interaction between beads I and J (Gaussian form)
IJ V V
JIIJnid rdrdrrrrF ''
2
1
22
'2
323
20
2
3'
rra
ijij ea
rr
nid
III FrdrrUnnF
)()(!lnln 11
F-H χ
Bergisches Land, 11 April 2023 - slide 33Cosmologic Symposium 2009
Input parameters for MesoDynThe most important parameters for MesoDyn are 1. the bead size and Gaussian chain architecture2. the bead mobility M, 3. the effective Flory-Huggins interactions ij
Obtained by molecular modeling tools: bead size and Gaussian chain architecture: by
Molecular Dynamics from characteristic ratio (C) in terms of Kuhn
length mobility: by Molecular Dynamics
Bead self diffusion coefficients FH interactions: by COSMO - RS
Bead – bead interactions Gibbs Energy with COSMO RS for binary mixtures
of molecules containing same groups of beads .. estimation of binary Xij
Fermeglia M., Cosoli P., Ferrone M., Piccarolo S., Mensitieri G., Pricl S. Polymer 47:5979-5989 (2006)
0
10
20
30
40
50
60
70
80
90
100
0 50 100 150 200
N
Cin
f(%
)
MSD vs Time (LDPE)
y = 0,0388x + 3,2678
0
5
10
15
20
0 100 200 300 400
Time [ps]
MS
D [
A2]
Bergisches Land, 11 April 2023 - slide 34Cosmologic Symposium 2009
PC and ABS modeling assumptions
Modeling at mesoscale levelABS is modeled by three different structures
Styrene Acrylonitrile block copolymer (SAN)
Butadiene homopolymer (POLYB) A branched macromolecule SAN-
POLYB-SAN (backbone butadiene)
PC is modeled by two different fragmentsNeed of constant bead dimensions
A B SA B S ( PM 30.000 )( PM 30.000 )
S A NS A N POLYBPOLYB POLYB-POLYB-SANSAN
ABS blend structure
Polycarbonate; PC monomer was split in 2 fragments in simulations
Bergisches Land, 11 April 2023 - slide 35Cosmologic Symposium 2009
Mesoscale results
Segregation occurs for all the systems investigatedMorphology: islands of AN (blue) are surrounded by S (cyan)S enwraps the AN segmentsS shields PC from unfavorable interactions with the polar AN SAN engulfs the B (purple) domainsShear effect (elongated phases)
ANS
BPC
PC
B
AN
S
Bergisches Land, 11 April 2023 - slide 36Cosmologic Symposium 2009
Morphology and phase behavior
Validation of multiscale approach with TEM analysis
PC/ABS simulations Mesodyn density field compared with TEM (S.Wang et. Al.,
2002) Same morphology
PC
B
AN
S
Bergisches Land, 11 April 2023 - slide 37Cosmologic Symposium 2009
Dissipative Particle Dynamics
Soft potentials calculations
Fi = f (aii, aij, …, rc )
Characteristic dimension of mesoscopic system
Micro - FEM Simulation
FEM Analysis:
Macroscopic properties
From beads … to micro: fixed grid
Geometry: map cubes to Palmyra tetrahedronsLaplace equation is solved for electric conductance,diffusion and permeabilityLocal deformation allow the calculation of mechanicalproperties
Bergisches Land, 11 April 2023 - slide 38Cosmologic Symposium 2009
FEM results: propertiesPC/ABS 15/8515/85 35/6535/65 55/4555/45 85/15
Young modulus [GPa] 2.40 2.39 2.35 2.34
Shear modulus [GPa] 8.6·10-1 8.5·10-1 8.3·10-1 8.3·10-1
Bulk modulus [GPa] 4.15 4.38 4.55 4.85
Thermal expansion coefficient [K-1]
6.92·10-
5
6.80·10-
5
6.72·10-5 6.56·10-
5
Bayblend® T 85 (Bayer)
85/15 PC/ABS
Young Modulus [Gpa] 2.30 2.34 Thermal expansion coefficient [K-1]
7.5*10-5 6.56*10-5
Calculated material properties (top) and comparison with experimental data* (bottom) * www.plastics.bayer.com
Bergisches Land, 11 April 2023 - slide 39Cosmologic Symposium 2009
Conclusions: the role of COSMO RSCOSMO RS has a role in Multiscale ModellingDirectly At QM level
Calculate interaction energy for molecules and fragments
AS a ‘message generator’ To avoid long MD and MC calculations .. To mesoscale DPD and Mesodyn (FH parameter) .. To process simulators (EOS parameters)
Applications Phase equilibrium Physical properties for PS Toxicological data Polymer blends Diblock copolymers phase behavior
Bergisches Land, 11 April 2023 - slide 40Cosmologic Symposium 2009
AcknowledgementsPersoneel
2 Staf: Maurizio Fermeglia - Sabrina Pricl
4 research contractsMarco Ferrone -Andrea Metzgez - Maria Silvia Paneni – Radovan Toth
6 PHD studentsLetitia Toma - Paolo Cosoli – Giulio Scocchi – Paola Posocco - Giovanni Maria Pavan – Iztok Bajc
Variable number of master students (3-5)
Research Support: material science EU MoMo Project, VI FP grant on Molecular Modelling EU MULTIPRO Project,VI FP grant on hybrid material EU MULTIHYBRID IP Project VI FP on PCNs and CNT EU NanoModel Project VII FP on Multiscale Modeling Ministry of University, Italy, PRIN 2002, 03, 05, 06 SIPA Zoppas Ind. research grant Centro Ricerche Plast Optica – FIAT ALRI (Automotive Lighting Rear Lamp) Industrial collaborations:
Solvay, Karton, Caffaro, Serichim
Collaborations Martin Lisal, Academy of Science, Czech Republic Marek Maly, Purkinje University, Czech Republic Laura Martinelli, Sabino Sinesi, CRP FIAT Research Andrea Danani, SUPSI, Lugano, Switzerland Hans Fraije, Culgi, The NEtherland Fernando DelaVega, Cimananotech, Israel Loredana Incarnato, Giovanna Russo, University of
Salerno), Italy Peppe Mensitieri, University of Naples, Italy Stefano Piccarolo, University of Palermo, Italy Gianluca Cicala, University of Catania, Italy Emo Chiellini, University of Pisa, Italy Lucia Comper, Andrea Morellato, Zoppas Ind., Italy ……