Process Graphs for Sustainability

Applications

Prof. Kathleen B. Aviso, Ph.D.

De La Salle University, Manila, Philippines
National Academy of Science and Technology, Philippines
What is Chemical Engineering?

Chemical engineering is
engineering applied to mass
production of chemicals
Process Systems Engineering (PSE)
Design “Toolbox”
 Mathematical Programming
(MP)
 Pinch Analysis (PA)
 Heuristics
 P-Graph
 Other allied methods (e.g.,
Monte Carlo, Artificial
Intelligence, etc.)
The P-graph Framework

 Graph-theoretic
framework for Process
Network Synthesis (PNS)
developed by Ferenc
Friedler, Liang-Tseng
Fan, and coworkers.
 Advantages include
computational efficiency
and automated generation
of alternative structures.
P-graph Fundamentals
(Friedler et al., 1992. CES 47: 1973)

 Bipartite graph consisting

of M-type and O-type
nodes.
 Capable of unambiguous
representation of industrial
processes.
 Initially developed for
Process Network
Synthesis
 Generic MILP Model for Process Synthesis
(adapted from Grossmann & Santibanez, 1980. CACE 4:205)

max c1Ty – AF(c2Tx + c3Tb) Parameters

subject to: A Process matrix
Ax = y c1 Price vector
c2 Variable cost vector
yL ≤ y ≤ yU
c3 Fixed cost vector
x≤Mb
AF Annualizing factor
bi  {0, 1} i M Arbitrary large number
yL Net output lower limit vector
yU Net output upper limit vector

Variables
b Binary variable vector
x Capacity vector
y Net output vector
 Generic MILP Model for Process Synthesis
(adapted from Grossmann & Santibanez, 1980. CACE 4:205)

max c1Ty – AF(c2Tx + c3Tb) Parameters

subject to: A Process matrix
Ax = y c1 Price vector
c2 Variable cost vector
yL Annual
≤ y ≤ revenue from
y U
product sales minus c3 Fixed cost vector
x ≤annual
M b costs from
purchase of inputs AF Annualizing factor
bi  {0, 1} i M Arbitrary large number
yL Net output lower limit vector
yU Net output upper limit vector

Variables
b Binary variable vector
x Capacity vector
y Net output vector
 Generic MILP Model for Process Synthesis
(adapted from Grossmann & Santibanez, 1980. CACE 4:205)

max c1Ty – AF(c2Tx + c3Tb) Parameters

subject to: A Process matrix
Ax = y c1 Price vector
c2 Variable cost vector
yL Annual
≤ y ≤ ycost of capital
recovery Ubased on c3 Fixed cost vector
x ≤piecewise
M b linear cost
function for process AF Annualizing factor
bi units
{0, 1} i M Arbitrary large number
yL Net output lower limit vector
yU Net output upper limit vector

Variables
b Binary variable vector
x Capacity vector
y Net output vector
 Generic MILP Model for Process Synthesis
(adapted from Grossmann & Santibanez, 1980. CACE 4:205)

max c1Ty – AF(c2Tx + c3Tb) Parameters

subject to: A Process matrix
Ax = y c1 Price vector
c2 Variable cost vector
yL ≤ y ≤ yU
c3 Fixed cost vector
x≤Mb
System-wide material AF Annualizing factor
i energy
band {0, 1}balance i M Arbitrary large number
equations using
input-output yL Net output lower limit vector
convention yU Net output upper limit vector

Variables
b Binary variable vector
x Capacity vector
y Net output vector
 Generic MILP Model for Process Synthesis
(adapted from Grossmann & Santibanez, 1980. CACE 4:205)

max c1Ty – AF(c2Tx + c3Tb) Parameters

subject to: A Process matrix
Ax = y c1 Price vector
c2 Variable cost vector
yL ≤ y ≤ yU
c3 Fixed cost vector
x≤Mb
AF Annualizing factor
i  {0, 1} bounds i
bUpper/lower M Arbitrary large number
on net output from
plant yL Net output lower limit vector
yU Net output upper limit vector

Variables
b Binary variable vector
x Capacity vector
y Net output vector
 Generic MILP Model for Process Synthesis
(adapted from Grossmann & Santibanez, 1980. CACE 4:205)

max c1Ty – AF(c2Tx + c3Tb) Parameters

subject to: A Process matrix
Ax = y c1 Price vector
c2 Variable cost vector
yL ≤ y ≤ yU
c3 Fixed cost vector
x≤Mb
AF Annualizing factor
bi  {0, 1} i M Arbitrary large number
Big M constraint to yL Net output lower limit vector
link binary variable to
process unit capacity
yU Net output upper limit vector

Variables
b Binary variable vector
x Capacity vector
y Net output vector
 Generic MILP Model for Process Synthesis
(adapted from Grossmann & Santibanez, 1980. CACE 4:205)

max c1Ty – AF(c2Tx + c3Tb) Parameters

subject to: A Process matrix
Ax = y c1 Price vector
c2 Variable cost vector
yL ≤ y ≤ yU
c3 Fixed cost vector
x≤Mb
AF Annualizing factor
bi  {0, 1} i M Arbitrary large number
yL Net output lower limit vector
Specification of yU Net output upper limit vector
binary variables to
signify existence of
process unit Variables
b Binary variable vector
x Capacity vector
y Net output vector
Screenshot of website
(www.p-graph.org)

13
 Components of P-graph
Consists of 2 types of vertices which are connected by
arcs
• Operating units (O – type vertices)

• Materials or streams (M – type vertices)

Raw materials

Intermediate materials

Products

14
User Interface of P-graph Studio

15
User Interface of P-graph Studio

Material Nodes, Operating

Unit Vertices and Links

16
 User Interface of P-graph Studio

Material Nodes and

Algorithms Operating Unit vertices

17
 Representation in P-graph

REACTOR DISTILLATION BOILER

COLUMN BIOGAS

Flowsheet
BOILER

Q CO2

P-graph

18
 P-graph Foundation: Five Axioms
(Friedler et al., 1992. CES 47: 1973)

(S1) Every final product is represented in the structure.

(S2) A material represented in the structure is a raw material if and
only if it is not an output from any operating unit represented
in the structure.
(S3) Every operating unit represented in the structure is defined in
the synthesis problem.
(S4) Any operating unit represented in the structure has at least
one path leading to a product.
(S5) If a material belongs to the structure, it must be an input to or
output from at least one operating unit represented in the
structure.
 P-graph Component Algorithms
(Friedler et al., 1992. CES 47: 1973; 1993. CACE 17: 929; 1996. In: SOAGO p. 609)

Algorithm Description
Maximal structure Mathematically rigorous generation of a complete,
generation (MSG) error-free “superstructure”

Solution structure Identification of combinatorially feasible subset

generation (SSG) networks of maximal structure

Accelerated branch- Efficient branch-and-bound algorithm enhanced

and-bound (ABB) with SSG logic to eliminate infeasible and
redundant solutions
Illustration of MSG and SSG
(Friedler et al., 1995. CES 50: 1755)
 MSG Algorithm
(Friedler et al., 1993. CACE 16: S313)
 Illustration of MSG
(Friedler et al., 1993. CACE 16: S313; *Kovacs et al. 2000. CACE 24: 1881)

 MSG algorithm determines

the structure that contains all
possible networks.
 The result is an error-free
superstructure.
 P-graph was shown to have
30% improvement over
erroneous MP model*
 What are the
combinatorially feasible
networks (n  27)?
 SSG Algorithm
(Friedler et al., 1995. CES 50: 1755)
 Illustration of SSG
(Friedler et al., 1995. CES 50: 1755)
 Illustration of SSG
(Friedler et al., 1995. CES 50: 1755)
 Illustration of SSG
(Friedler et al., 1995. CES 50: 1755;*1993. CACE 16: S313;
**Diaz-Alvarado 2018. JMC 56: 1011 )

 SSG algorithm
reduces problem size
to manage
“combinatorial
explosion.”
 A 35-process example
has 3465 networks, as
compared to 35  109*
 Applied to reaction
pathways, SSG
identified 71 reactions
out of 31  109
possibilities**
 Educational Advantages of P-Graph
(Lam et al. 2016. JCLP 136: 254; Promentilla et al. 2017. ATE 127: 1317)

 P-graph integrated as a
topic in curriculum.
 Capability to generate
multiple solutions facilitates
Problem-Based Learning
(PBL).
P-graph Software Implementation

 P-graph Studio software

and tech support available
via www.p-graph.org.
 Previous generations
include PNS Studio and
Symphony.
 Prototype programs in VBA
(MSG and SSG) have been
developed for research.
 Generalized Process Networks

 Sustainable Energy Systems

 Carbon Management Networks
 Industrial parks and complexes
 Organizational and Economic systems
 P-graph for Sustainable Energy Systems
(Aviso et al., 2017)

P-graph can be used to generate optimal designs for multi-period hybrid

energy systems.
 P-graph for Sustainable Energy Systems
(Aviso et al., 2020 )

P-graph can be used to generate optimal operating conditions of

sustainable energy systems in the presence of system disruptions.
 P-graph for Carbon Management Networks
(Tan et al., 2017)

P-graph can be used for selecting the best portfolio of low carbon
technology options in consideration of GHG reduction targets
 P-graph for Carbon Management Networks
(Aviso et al., 2019 )

The implementation of biochar-based

CMNs is constrained by availability of
resource and application limits
 P-graph for Industrial Parks and Complexes
(Tan et al., 2016)

P-graph for optimizing industrial

operations during crisis conditions
 P-graph for Supply Chains
(Angeles et al., 2017)

P-graph for identifying sustainable

supply chains which minimize
environmental impact
P-graph for Economic Systems
(Aviso et al., 2015)

P-graph has been used for

minimizing economic impact of
climate-change induced crisis
conditions
P-graph Core Group in Esztergom, 2018
(Photo credit: Ms. Xuexiu Jia)
Recent P-graph Developments

Recent efforts were made to

accelerate P-graph R&D through
a series of visits hosted at
Pázmány Péter Catholic
University (PPKE) in Hungary.
P-graph Research Area Developments
(Friedler et al., 2019. COChE 26: 58)

Recent efforts to strengthen P-graph

community:
 2013 SI in I&ECR
 2015 and 2018 Expert Workshops
(HU)
 Conference special sessions and
workshops (PRES 2015, 2018)
 Review and prospective articles
 Generalized Process Networks
 Chemical reactions
 Industrial plants
 Transportation networks (e.g., road traffic, building evacuation)
 Organizational structures, schedules, and business processes
 Ecosystem networks, integrated ecological-economic networks
 Artificial intelligence (e.g., Bayesian networks)
 Causality networks (e.g., DEMATEL)
 Others?
 Why Use P-graph?
 Network structure (e.g., discrete choices) generally has the
strongest influence on system performance.
 Capability to enumerate good (optimal and near-optimal) options is
vital to effective problem analysis (e.g., by engineers) and decision
support (e.g., by CEOs, politicians).
 Acknowledgements
 PPKE (HU) Central Funds Program to support meetings/discussions
 Thanks to P-graph collaborators, esp.:
 Prof. Ferenc Friedler (PPKE)
 Dr. Botond Bertok, Ákos Orosz (Pannon Egyetem)
 Prof. Dominic Foo, Prof. Hon Loong Lam (UNMC)
 Jean Pimentel (UNC), Sheetal Jain (IITB)
 Thanks for your attention

Comments and questions are welcome

Or contact me:

Kathleen B. Aviso
e-mail: Kathleen.aviso@dlsu.edu.ph