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Introduction        Process Integration                   Water distribution                        Summary




               Visualisation and interaction for design


                               Professor Eric S Fraga
                              Department of Chemical Engineering
                               UCL (University College London)




                     ECOSSE Retrospective Symposium
                              Edinburgh
                             17 April 2009

                                                                                     c 2009, All rights reserved.

                                                              Visualisation and interaction for design
                                                                                                          1 / 20
Introduction            Process Integration       Water distribution                                               Summary

                               Process design

      Process design should be informed by robust optimisation with
      confidence in results. But...
           complex non-linear, non-convex,
           discontinuous & noisy models,                           1500
                                                                                       Cost versus Pressure


                                                                   1400

                                                                   1300
           combinatorial search space,                             1200




                                                    Cost (k$/yr)
                                                                   1100


           small, possibly non-convex, feasible                    1000

                                                                   900

           regions, and                                            800

                                                                   700

                                                                   600
                                                                          0   5   10        15      20        25   30   35
           ill- or un-defined objective function                                           Pressure (atm)



           and constraint equations outside
           feasible regions.


                                                            Visualisation and interaction for design
                                                                                                                         2 / 20
Introduction             Process Integration    Water distribution                        Summary




               The simplest things give me ideas.
                                                                          Joan Mir´
                                                                                  o




                                                    Visualisation and interaction for design
                                                                                               3 / 20
Introduction               Process Integration       Water distribution                       Summary

                   Visualisation and interaction

               Computer based tools for design and optimization are
               intended for use by non-experts.

               Visual representations critical for ease of use.

               Interaction can enable engineer to apply own intuition.

               Strategy is to combine data analytics, visualisation, and
               robust (hybrid) optimisation.

               Applications in energy, water, carbon capture, sustainability,
               and control.



                                                        Visualisation and interaction for design
                                                                                                   4 / 20
Introduction            Process Integration   Water distribution                       Summary

               Heat-integrated process design

 Task:
         Identify potential
         integrations for given
         configuration.

         Enable process
         modification for
         better integration.

         Help engineer identify
         design alternatives.



                                                 Visualisation and interaction for design
                                                                                            5 / 20
Introduction             Process Integration     Water distribution                       Summary




               To simplify complications is the first essential of
               success.
                                                        George Earle Buckle




                                                    Visualisation and interaction for design
                                                                                               6 / 20
Introduction               Process Integration      Water distribution                       Summary

                          Visual representation
      For a given process configuration, we can display the hot and
      cold streams visually and support interaction, where

               x-axis for position independent
               duties,

               y -axis for temperature, and

               hot stream overlapping cold
               stream indicates heat integration.

      Allow user to manipulate process by moving streams (the tail
      wagging dog approach): streams can be moved horizontally for
      different integrations and moved vertically or stretched
      horizontally to change underlying unit designs.

                                                       Visualisation and interaction for design
                                                                                                  7 / 20
Introduction                  Process Integration                 Water distribution                        Summary

                          HEN design algorithm
                                              1     Define list of intervals
A graphical view of                                                   ns
process heat requirements                                       I ←        {{xa,i } ∪ {xb,i }}
defines left and right                                                  1
end-points for each hot
and cold stream in the
                                              2     For each interval [Ij , Ij+1 ]:
process:                                               1   Generate list of active streams, A.
                                                       2   Sort A from top to bottom using yb values.
                                                       3   Generate match for each hot stream
           {(xa,i , ya,i )}
                                                           immediately above cold stream in A.
           {(xb,i , yb,i )}                            4   Generate utility match for all other
                                                           streams.
i = 1, . . . , ns and
                                              3     Coalesce adjacent similar matches.
x, y ∈ Z+ .
                                              4     Design exchanger for each match.
                                              5     Cost all exchangers and utility use.
                                                                      Visualisation and interaction for design
                                                                                                                 8 / 20
Introduction   Process Integration        Water distribution                        Summary

                      Demonstration




       www                           ESF, Patel & Rowe (2001). ChERD 79(7):765–776



                                              Visualisation and interaction for design
                                                                                         9 / 20
Introduction         Process Integration                    Water distribution                       Summary

               Water distribution networks
      We wish to design the pipe network for water distribution for a
      given configuration with the aim of meeting water demand
      with redundancy in the network. A small motivating problem:


                                                                       7 nodes

                                                                       8 pipes

                                                                       1 reservoir

                                                                       no pumps


                                     Alperovits & Shamir (1977), Water Resource Research 13(6):885-900



                                                               Visualisation and interaction for design
                                                                                                          10 / 20
Introduction              Process Integration       Water distribution                       Summary

                          The design problem
      Given
               network layout: connectivity, length (Lk ), set of discrete pipe
               diameters, pipe cost;

               node demands, Dn ; and,
                                           min
               minimum head requirements, Hn .

      Determine
               diameter of each pipe, dk , chosen from the set of discrete
               diameters;

               flow amount and direction, Qk ; and,

               head (pressure) at each node, Hn

      so as to minimise total network cost.
                                                       Visualisation and interaction for design
                                                                                                  11 / 20
Introduction          Process Integration               Water distribution                         Summary

                                  The model
                               min               Cm Lk ykm
                                        k    m

      subject to:

                            Qk −            Qk = Dn
                     k∈In           k∈On
                                          ∆Hk = Hn∈Ik − Hn∈Ok
                                                                      β
                                                             Qk                      −γ
                                          ∆Hk = w                         Lk        dm ykm
                                                             CHW               m
                                                  min
                                            Hn ≥ Hn + En
                                            ykm = 1
                                      m

      Indices: k, pipes/connections, n, nodes, and m, pipe
      diameters.
                                                             Visualisation and interaction for design
                                                                                                        12 / 20
Introduction               Process Integration        Water distribution                       Summary

                           Direct optimization
               Solved minlp in gams, using dicopt with the cplex milp
               solver and a variety of nlp solvers:


                 Initial                         Solution (103 $)
           Configuration           conopt2 conopt3 minos minos5
         None                           659        655              444               Fails
         All flows = 100                 441        441              452                452

               Initialization affects success of the nlp solvers.
               Consider visual and interactive tool for initialization of
               subsequent mathematical programming method: hybrid
               approach.
                                                         Visualisation and interaction for design
                                                                                                    13 / 20
Introduction             Process Integration   Water distribution                       Summary




               Simplicity and complexity need each other.
                                                                    John Maeda




                                                  Visualisation and interaction for design
                                                                                             14 / 20
Introduction              Process Integration       Water distribution                        Summary

                         Discrete optimization
      Use of visualization requires mapping from continuous to
      discrete space.

               Mapping converts MINLP to discrete
               programming model ...

               ... but equality constraints cannot be
               satisfied in discrete space.

               So we use interval analysis to identify
               solutions which are close to feasible in
               discrete space.
      The discrete model is solved either by the engineer through
      interaction or using an embedded stochastic optimisation
      procedure.
                                                        Visualisation and interaction for design
                                                                                                   15 / 20
Introduction         Process Integration                  Water distribution                       Summary

                      Interval arithmetic

      Changes to model given that node heads are now intervals:

                  ∆Hk         =       Hn∈Ik − Hn∈Ok
                                                      1
                                                      β
                                            ∆Hk
                    Qk        =
                                           w C Lk γ
                                               βd
                                                 k

                        0 ∈                   Qk −            Qk − Dn
                                     k∈In             k∈On


      where    indicates an interval value.



                                                             Visualisation and interaction for design
                                                                                                        16 / 20
Introduction   Process Integration                    Water distribution                        Summary

                      Demonstration




       www      ESF & Papageorgiou (2007), Optimization and Its Applications, Springer, 4:311-332.




                                                          Visualisation and interaction for design
                                                                                                     17 / 20
Introduction             Process Integration        Water distribution                       Summary

                    Hybrid procedure results

               Initial                         Solution (103 $)
           Configuration         conopt2 conopt3 minos minos5
         None                         659        655              444               Fails
         All flows = 100               441        441              452                452




                                                       Visualisation and interaction for design
                                                                                                  18 / 20
Introduction               Process Integration        Water distribution                       Summary

                      Hybrid procedure results

                 Initial                         Solution (103 $)
           Configuration           conopt2 conopt3 minos minos5
         None                           659        655              444               Fails
         All flows = 100                 441        441              452                452
         Hybrid                         419        419              423                419


               Behaviour of nlp solvers is more consistent.
               The global optimum is found in 3 of the cases.
               Solutions obtained are better in all cases.
                                                         Visualisation and interaction for design
                                                                                                    18 / 20
Introduction             Process Integration     Water distribution                       Summary

                                       Summary


               To simplify complications is the first essential of
               success.
                                                        George Earle Buckle

      But...
               Everything should be made as simple as possible, but
               not simpler.
                                                                 Albert Einstein



                                                    Visualisation and interaction for design
                                                                                               19 / 20
Introduction         Process Integration   Water distribution                       Summary




      Acknowledgements
      The following have contributed to the work presented here:

                     Dr Lazaros Papageorgiou, UCL
                         Ms Rupal Patel, UCL
                        Dr Glenn Rowe, Dundee

      and the ECOSSE group is to blame for my working in this
      field!


      http://www.homepages.ucl.ac.uk/~ucecesf/research.html



                                              Visualisation and interaction for design
                                                                                         20 / 20

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Visualisation and interaction for design

  • 1. Introduction Process Integration Water distribution Summary Visualisation and interaction for design Professor Eric S Fraga Department of Chemical Engineering UCL (University College London) ECOSSE Retrospective Symposium Edinburgh 17 April 2009 c 2009, All rights reserved. Visualisation and interaction for design 1 / 20
  • 2. Introduction Process Integration Water distribution Summary Process design Process design should be informed by robust optimisation with confidence in results. But... complex non-linear, non-convex, discontinuous & noisy models, 1500 Cost versus Pressure 1400 1300 combinatorial search space, 1200 Cost (k$/yr) 1100 small, possibly non-convex, feasible 1000 900 regions, and 800 700 600 0 5 10 15 20 25 30 35 ill- or un-defined objective function Pressure (atm) and constraint equations outside feasible regions. Visualisation and interaction for design 2 / 20
  • 3. Introduction Process Integration Water distribution Summary The simplest things give me ideas. Joan Mir´ o Visualisation and interaction for design 3 / 20
  • 4. Introduction Process Integration Water distribution Summary Visualisation and interaction Computer based tools for design and optimization are intended for use by non-experts. Visual representations critical for ease of use. Interaction can enable engineer to apply own intuition. Strategy is to combine data analytics, visualisation, and robust (hybrid) optimisation. Applications in energy, water, carbon capture, sustainability, and control. Visualisation and interaction for design 4 / 20
  • 5. Introduction Process Integration Water distribution Summary Heat-integrated process design Task: Identify potential integrations for given configuration. Enable process modification for better integration. Help engineer identify design alternatives. Visualisation and interaction for design 5 / 20
  • 6. Introduction Process Integration Water distribution Summary To simplify complications is the first essential of success. George Earle Buckle Visualisation and interaction for design 6 / 20
  • 7. Introduction Process Integration Water distribution Summary Visual representation For a given process configuration, we can display the hot and cold streams visually and support interaction, where x-axis for position independent duties, y -axis for temperature, and hot stream overlapping cold stream indicates heat integration. Allow user to manipulate process by moving streams (the tail wagging dog approach): streams can be moved horizontally for different integrations and moved vertically or stretched horizontally to change underlying unit designs. Visualisation and interaction for design 7 / 20
  • 8. Introduction Process Integration Water distribution Summary HEN design algorithm 1 Define list of intervals A graphical view of ns process heat requirements I ← {{xa,i } ∪ {xb,i }} defines left and right 1 end-points for each hot and cold stream in the 2 For each interval [Ij , Ij+1 ]: process: 1 Generate list of active streams, A. 2 Sort A from top to bottom using yb values. 3 Generate match for each hot stream {(xa,i , ya,i )} immediately above cold stream in A. {(xb,i , yb,i )} 4 Generate utility match for all other streams. i = 1, . . . , ns and 3 Coalesce adjacent similar matches. x, y ∈ Z+ . 4 Design exchanger for each match. 5 Cost all exchangers and utility use. Visualisation and interaction for design 8 / 20
  • 9. Introduction Process Integration Water distribution Summary Demonstration www ESF, Patel & Rowe (2001). ChERD 79(7):765–776 Visualisation and interaction for design 9 / 20
  • 10. Introduction Process Integration Water distribution Summary Water distribution networks We wish to design the pipe network for water distribution for a given configuration with the aim of meeting water demand with redundancy in the network. A small motivating problem: 7 nodes 8 pipes 1 reservoir no pumps Alperovits & Shamir (1977), Water Resource Research 13(6):885-900 Visualisation and interaction for design 10 / 20
  • 11. Introduction Process Integration Water distribution Summary The design problem Given network layout: connectivity, length (Lk ), set of discrete pipe diameters, pipe cost; node demands, Dn ; and, min minimum head requirements, Hn . Determine diameter of each pipe, dk , chosen from the set of discrete diameters; flow amount and direction, Qk ; and, head (pressure) at each node, Hn so as to minimise total network cost. Visualisation and interaction for design 11 / 20
  • 12. Introduction Process Integration Water distribution Summary The model min Cm Lk ykm k m subject to: Qk − Qk = Dn k∈In k∈On ∆Hk = Hn∈Ik − Hn∈Ok β Qk −γ ∆Hk = w Lk dm ykm CHW m min Hn ≥ Hn + En ykm = 1 m Indices: k, pipes/connections, n, nodes, and m, pipe diameters. Visualisation and interaction for design 12 / 20
  • 13. Introduction Process Integration Water distribution Summary Direct optimization Solved minlp in gams, using dicopt with the cplex milp solver and a variety of nlp solvers: Initial Solution (103 $) Configuration conopt2 conopt3 minos minos5 None 659 655 444 Fails All flows = 100 441 441 452 452 Initialization affects success of the nlp solvers. Consider visual and interactive tool for initialization of subsequent mathematical programming method: hybrid approach. Visualisation and interaction for design 13 / 20
  • 14. Introduction Process Integration Water distribution Summary Simplicity and complexity need each other. John Maeda Visualisation and interaction for design 14 / 20
  • 15. Introduction Process Integration Water distribution Summary Discrete optimization Use of visualization requires mapping from continuous to discrete space. Mapping converts MINLP to discrete programming model ... ... but equality constraints cannot be satisfied in discrete space. So we use interval analysis to identify solutions which are close to feasible in discrete space. The discrete model is solved either by the engineer through interaction or using an embedded stochastic optimisation procedure. Visualisation and interaction for design 15 / 20
  • 16. Introduction Process Integration Water distribution Summary Interval arithmetic Changes to model given that node heads are now intervals: ∆Hk = Hn∈Ik − Hn∈Ok 1 β ∆Hk Qk = w C Lk γ βd k 0 ∈ Qk − Qk − Dn k∈In k∈On where indicates an interval value. Visualisation and interaction for design 16 / 20
  • 17. Introduction Process Integration Water distribution Summary Demonstration www ESF & Papageorgiou (2007), Optimization and Its Applications, Springer, 4:311-332. Visualisation and interaction for design 17 / 20
  • 18. Introduction Process Integration Water distribution Summary Hybrid procedure results Initial Solution (103 $) Configuration conopt2 conopt3 minos minos5 None 659 655 444 Fails All flows = 100 441 441 452 452 Visualisation and interaction for design 18 / 20
  • 19. Introduction Process Integration Water distribution Summary Hybrid procedure results Initial Solution (103 $) Configuration conopt2 conopt3 minos minos5 None 659 655 444 Fails All flows = 100 441 441 452 452 Hybrid 419 419 423 419 Behaviour of nlp solvers is more consistent. The global optimum is found in 3 of the cases. Solutions obtained are better in all cases. Visualisation and interaction for design 18 / 20
  • 20. Introduction Process Integration Water distribution Summary Summary To simplify complications is the first essential of success. George Earle Buckle But... Everything should be made as simple as possible, but not simpler. Albert Einstein Visualisation and interaction for design 19 / 20
  • 21. Introduction Process Integration Water distribution Summary Acknowledgements The following have contributed to the work presented here: Dr Lazaros Papageorgiou, UCL Ms Rupal Patel, UCL Dr Glenn Rowe, Dundee and the ECOSSE group is to blame for my working in this field! http://www.homepages.ucl.ac.uk/~ucecesf/research.html Visualisation and interaction for design 20 / 20