APMF 2022: DIGITAL PROCESS DESIGN & OPERATIONS

LONDON, 18–19 October 2022

Detailed agenda

Morning 

Workshop 1: Using Global Systems Analysis (GSA) to systematically explore a large decision space

Workshop 2: Model validation with Bayesian Parameter estimation

Workshop 3: Streamlined workflows – steady-state to dynamic

Workshop 4: gPROMS Digital Applications for operations – Part 1

 

Afternoon

Workshop 5: Surrogate model generation and data driven modelling

Workshop 6: Optimization: designing the optimal process

Workshop 7: gPROMS Process: advanced model library showcase

Workshop 8: gPROMS Digital Applications for operations – Part 2

 

 

Workshop 1: Using Global Systems Analysis (GSA) to systematically explore a large decision space

Overview

Global system analysis (GSA) allows the comprehensive exploration of the behaviour of a system over domains of any user-selected subset of its input variables ('factors'), and output variables ('responses').

This provides a quick and easy way to explore the complex process design and operational decision space systematically via hundreds or even thousands of executions using high-fidelity models, rather than via point activities using manually repeated simulation runs

Agenda

In this workshop, we will cover:

  • How to define input factors and attribute uncertainty to these
  • How to define output responses / key performance indicators of interest
  • How global system analysis can make the most of available computational resources via the high-performance computing (HPC) option
  • How to explore different types of analyses, including uncertainty analysis and sensitivity analysis
  • How to easily inspect results using tables, histograms and scatter plots

Audience

The workshop is aimed at process engineers and technology managers from the Oil & Gas, Refining, Chemicals, Petrochemicals, Food & Beverage and Specialty Chemicals industries who have a strong interest in exploring the process design and operational decision space.

 

Workshop 2: Model validation with Bayesian Parameter estimation

Overview

Validating a model and improving its accuracy is a vital part of all modelling activities. The entire model validation cycle is covered in gPROMS via the parameter estimation and model validation tool. Experimental data can be included in the simulation and parameters can be estimated directly with the aid of Maximum likelihood solvers and Bayesian parameter estimation techniques. With the newly estimated parameters, gPROMS automatically performs a model validation step using additional experimental data. The results are subjected to statistical analysis.

Agenda

In this workshop, we will cover:

  • How to define existing experiments
  • How to import experimental data
  • How model validation can make the most of available computational resources via the high-performance computing (HPC) option
  • How to inspect results using statistical analysis

Audience

The workshop is aimed at process engineers and technology managers from the Oil & Gas, Refining, Chemicals, Petrochemicals, Food & Beverage and Specialty Chemicals industries who have a strong interest in exploring the process design and operational decision space.

 

Workshop 3: Streamlined workflows – steady-state to dynamic

Overview

Understanding transient behaviour of chemical processes using mathematical models is of great importance in the design and operation of chemical processes. Accurately predicting process dynamics is particularly important for projects involving batch processes, plant startup/shutdown, product/feedstock changeovers, control system design, and others. This workshop instructs attendees to set up in gPROMS Process a dynamic process model of a typical chemical engineering process.

Agenda

In this workshop, we will cover:

  • Introduction on dynamic modelling workflow (Flow-Driven vs Pressure-Driven)
  • Include process dynamics in a process model (converting models from steady-state behaviour into dynamics)
  • Conveniently define plant operating procedures
  • Execute a simulation and view results
  • Set up and configure a control scheme

Audience

The course is aimed at chemical and process engineers who wish to start using gPROMS to create flowsheet models including process dynamics and use these to understand and improve the design and operation of batch, semi-batch and continuous processes.

 

Workshop 4: gPROMS Digital Applications for operations – Part 1

Overview

SPSE's Digital Applications Platform (gDAP) is a robust, integrated software framework for the development and online deployment of complex model-based digital applications for decision support or closed-loop control.

A digital application takes care of all essential activities for online deployment and execution of high-fidelity models linked to plant data systems. They facilitate the management of external and internal data exchange, data cleansing / validation and execution scheduling of model-based computations.

Agenda

  1. Introduction to Digital Applications
  2. gPROMS Digital Applications (gDAs): an overview 
  3. Introduction to the gPROMS model and plant data server
    • Review of a candidate gPROMS model
    • Overview of the deployment architecture
    • Overview of deployment tools 
  4. Plant data connection and validation
    • Configuring a digital application with an OPC data client
    • Data validation
    • Audience
    • The workshop is aimed at modellers who wish to put their models online, from the Oil & Gas, Refining, Chemicals, Petrochemicals, Food & Beverage and Specialty Chemicals industries.

Audience

The workshop is aimed at modellers who wish to put their models online, from the Oil & Gas, Refining, Chemicals, Petrochemicals, Food & Beverage and Specialty Chemicals industries.

 

 

 

Workshop 5: Surrogate model generation and data driven modelling

Overview​

Surrogate modelling derived from physics-based models take advantage of the deep process knowledge at a reduced computational time. Using plant data surrogate models can be developed to capture complex phenomena such as fouling in heat exchangers. This enables users to explore the process design decision space and use such models for online applications and real time optimisation. ​

Agenda​

  • In this workshop, we will cover: ​
  • How to identify the input-output required for the surrogate model ​
  • How to use the Global System Analysis to build the inputs for creating surrogate models ​
  • How to analyse the predictive accuracy of a surrogate model ​
  • How to replace a high-fidelity process model with a data driven model ​

Audience​

The workshop is aimed at process engineers and technology managers from the Oil & Gas, Refining, Chemicals, Petrochemicals, Food & Beverage and Specialty Chemicals industries who have a strong interest in exploring the process design and operational decision space.

 

Workshop 6: Optimization: designing the optimal process

Overview​

Optimization is a key technology for process organisations to create value and competitive advantage in process design and operations. Large-scale optimization based on high-fidelity models could create significant value from ‘already-optimized’ processes. gPROMS Process takes full advantage of its optimization capabilities, which make it possible to apply rigorous optimization methods to the design and operation of individual unit operations (e.g., reactors or distillation columns), plant sections (e.g., multiple distillation column sequences), entire plants integrating reaction, separation and utility sections, or even multi-site applications. The power of gPROMS’s equation-oriented approach and faster solution times open the door to a wider range of advanced optimization applications that have not been feasible thus far.​

Agenda​

  • Steady-state optimisation of continuous variables to improve operation (local and global optimal)​
  • Steady-state optimisation of both continuous and discrete variables to improve a current configuration and operation ​
  • Steady-state optimisation of both continuous and discrete variables to solve process synthesis problems​
  • Dynamic optimisation of continuous and discrete variables within a time horizon​

Audience​

The workshop is aimed at process engineers and technology managers from the Oil & Gas, Refining, Chemicals, Petrochemicals, Food & Beverage and Specialty Chemicals industries who have a strong interest in optimal process design and operational conditions.

 

Workshop 7: gPROMS Process: advanced model library showcase

Overview​

gPROMS Process provides the most sophisticated process models available to the process industries, allowing accurate design and optimization of chemical processes over a wide range of conditions. The key benefit of the advanced model libraries (AMLs) of high-fidelity predictive models for reaction and separation is their unprecedented predictive capability, which allows rapid and accurate exploration of the design and operating decision space.​

This enables companies to take better, faster and safer decisions in all areas of process design and operation, including mechanical design.​

Agenda

In this workshop, we will cover:​

  • AML:Gas-Liquid Contactors - Library for the simulation of gas-liquid contactors. This library uses rate-based models to predict mass and heat transfer between gas and liquid phases.​
  • AML:Fixed-Bed Catalytic Reactor - Fixed-bed reactor models for modelling tubular and multitubular catalytic reactors, including 1-D, 2-D and 3-D (2-D axial and radial tube and 1-D intra-particle) models, with customisable kinetics.​
  • AML:Trickle-Bed Reactor - Trickle-bed reactor with 2-D axial and radial tube and 1-D intra-particle models, with customisable kinetics.​
  • AML:Electrochemical Cell - High-fidelity models of electrochemical cell reactors with customisable anode/cathode half-cell reaction kinetics and membrane ion transport (electrolysers and fuel cells).​

Audience​

The workshop is aimed at process engineers and technology managers from the Oil & Gas, Refining, Chemicals, Petrochemicals, Food & Beverage and Specialty Chemicals industries who have a strong interest in exploring the process design and operational decision space.

 

Workshop 8: gPROMS Digital Applications for operations – Part 2

Overview​

SPSE's Digital Applications Platform (gDAP) is a robust, integrated software framework for the development and online deployment of complex model-based digital applications for decision support or closed-loop control.​

A digital application takes care of all essential activities for online deployment and execution of high-fidelity models linked to plant data systems. They facilitate the management of external and internal data exchange, data cleansing / validation and execution scheduling of model-based computations.​

Agenda​

 

  1.  Plant data connection
    • Running the model under different scenarios
    • Closing the loop
  2. Integration into plant networks
    • Deployment architecture in the IT/OT layers
    • Cyber security
  3. Extending the DA scope
    • Monitoring, forecasting, soft-sensing and optimization incl. NLMPC
    • Use of databases and third-party models
    • HMI and visualization layers

Audience

The workshop is aimed at modellers who wish to put their models online, from the Oil & Gas, Refining, Chemicals, Petrochemicals, Food & Beverage and Specialty Chemicals industries.

Overview

The aim of Formulated Products (FP) workshop day is to provide an interactive and engaging training experience with a focus on the application of gPROMS FormulatedProducts. To kick off your learning experience, you will get the opportunity to complete the brand new interactive feature based short courses to get you up to speed with either fundamental or advanced topics . The remainder of the time will be devoted to completing up to two application driven workshops of your choice with the guidance of the Applications Engineering team. The workshop includes presentations, hands-on sessions and Q&A. The day provides an excellent opportunity to connect with the FP modelling experts that will be available to provide advice on specific modelling needs.

Agenda

 

During the day:

Breakout sessions with the SPSE technical team

Our modelling experts will be available for meeting with the participants to discuss their specific project needs.

 
 
08:30
Coffee & Welcome
09:00
Introductory presentation by Sean Bermingham – VP Formulated Products
09:15
Plans for the day
09:25
Round of introductions 
09:45
Introduction to the Siemens on-demand platform and to the gPROMS FormulatedProducts courses
09:50
Interactive feature based short courses (extensive catalogue available for beginners and advance users)
10:30
Coffee break
10:40
gPROMS FormulatedProducts workshops (Part 1)
12:20
Group activity
12:30
Lunch
13:30
gPROMS FormulatedProducts workshops (Part 2)
15:00
Coffee break
15:10
gPROMS FormulatedProducts workshops (Part 3)
16:40
Wrap up, concluding remarks and feedback on the experience

Workshop topics

 

Workshop 1: Crystallization

During the crystallization training, attendees will learn the capabilities of unit operation and kinetic models included in our crystallization model libraries and receive hands-on instruction using the models to simulate a batch cooling crystallization system. Experimental data will be used to estimate crystallization kinetic parameters, along with instruction on how to interpret the results of a parameter estimation and understand the impact of uncertainty in experimental measurements and its effect on the confidence of the estimated parameters and subsequently on the confidence in predictions from the validated crystallization model. Attendees will gain hands-on experience using gPROMS FormulatedProducts to perform a global system analysis to automatically assess the validated system’s sensitivity to a wide range of process parameters, including seed mass and particle size distribution. After attending this training, you will be able to start applying the crystallization model libraries to your own projects

 

Workshop 2: Morphological crystallization
During the morphological crystallization training, attendees will learn the capabilities of unit operation and kinetic models included within our morphological crystallization model library and receive hands-on instruction using the models to simulate a batch cooling crystallization system, describing both particle size and shape evolution. Experimental data will be used to estimate crystallization kinetic parameters, namely growth kinetics along major & minor axes for a needle-shaped particle. This workshop will include instruction on how to interpret the results of a parameter estimation and understand the impact of uncertainty in experimental measurements and its effect on the confidence of the estimated parameters and subsequently on the confidence in predictions from the validated morphological crystallization model. Attendees will gain hands-on experience using gPROMS FormulatedProducts to perform a global system analysis to automatically assess the validated system’s sensitivity to a wide range of process parameters, including seed mass and particle size distribution. After attending this training, you will be able to start applying the morphological crystallization model library to your own projects.

Workshop 3: Impurity tracking in batch active ingredient manufacture
Impurities or undesired side products are commonly produced during the synthesis of active ingredients and it is thus necessary to track their evolution, both formation and removal during these operating steps. A common objective is to maximize the selectivity of reactions involved in reaction routes to produce the desired active ingredient, while minimizing the formation of impurities that can reduce the quality of the product and introduce risk. Through reducing impurity formation, the need for impurity removal in subsequent downstream steps is also reduced, while still ensuring that the final product meets the desired specifications.
SPSE’s gPROMS FormulatedProducts can be used to quantify the formation and rejection across multiple active ingredient manufacture unit operations, capturing the effects of upstream process decisions on downstream outcomes in batch and continuous processes.
Our hands-on training for impurity tracking in batch active ingredient manufacture will introduce users to a typical workflow configuring, calibrating and applying a model for multi-step batch processes with impurities. During the training, attendees will learn how impurities are tracked and monitored throughout a process, and how process parameters may impact the impurity in the final active ingredient produced through a series of hands-on activities, presentations and video demonstrations. For this training, a typical flowsheet with a reactor, a liquid-liquid separator and a crystallizer will be used. Attendees will learn how models are calibrated through performing model validation with the use of experimental data. The attendees will then learn how to perform a global systems analysis to explore a design space describing the impact of process parameters and experiment conditions on the active ingredient crystallized product impurity. The last exercise will cover how the process may be optimised to minimise the impurity included in the crystallized active ingredient. Through this training, the user will become familiar with the gPROMS FormulatedProducts software interface and gain expertise in configuring impurity tracking and process optimization methodologies for their desired processes using the provided flowsheet as a model example.

Workshop 4: Reaction-hydrogenation
During this training, attendees will learn the capabilities of the reaction model libraries in gPROMS Formulated Products and receive hands-on instruction on using the multiphase CSTR model to simulate a hydrogenation reaction system.
Experimental data will be used to estimate the kinetic parameters and establish a reaction mechanism, along with instruction on how to interpret the results of a parameter estimation and assess confidence in the estimated parameters and model predictions. Attendees will also gain hands-on experience  performing Global Systems Analysis (GSA) on the validated model to explore the design space, and automatically assess the sensitivity of Key Performance Indicators (KPIs) like conversion and yield to a wide range of process parameters, including operating pressure, temperature and initial concentrations. After attending this training, you will be able to start applying the reactor model libraries to your own projects.

Workshop 5: Solar evaporation ponds
The process of brine mining and salt extraction using solar evaporation ponds is subject to high levels of uncertainty as a result of variability in climate and/or process conditions. The most efficient yet comprehensive approach to analyse and mitigate these sources of variability on the process yields involves a digital process twin built using mechanistic models.
Process Systems Enterprise (PSE) is a leading supplier of Advanced Process Modelling software and services to the process industries. With the guidance of companies with major solar pond operations, PSE has developed a library of models for modelling solar evaporation network processes. The dynamic solar evaporation pond model, which takes into account rigorous handling of physical properties for electrolyte systems, can be used to study the effect of the variations in climate and solar radiations throughout the year on the evaporation of the brine and the precipitation of target salts. This mechanistic model library is built on PSE’s Advanced Process Modelling environment, gPROMS FormulatedProducts (“gFP”), which provides users with the necessary tools to create the digital twin of the process and then deploy it for off-line and on-line usage.
During this training, attendees will explore the capabilities of the solar evaporation pond model libraries in gFP and get hands-on experience using the models to simulate a solar evaporation pond network process. The course will cover flowsheeting and simulation, model calibration using process data, and uncertainty analysis using the Global System Analysis (GSA) tool in gFP to model the effect of uncertainty in the climate conditions on the salt production. This training is ideal for beginners in the mining industry new to the gPROMS platform as well as those interested in better understanding the solar pond libraries.

Workshop 6: Bioreactors
Bioreactor processes are the upstream production workhorses for many formulated products industries (e.g. biopharmaceutical, food, beverage and specialty chemicals). Process development is a significant task due to the inherent biological variability, large decision space, limited material availability and constricted timelines.
Bioreactor science-based digital twins can bring value to businesses across R&D, engineering, and manufacturing functions through digital design and optimisation, risk assessment, design space exploration and scale up/tech transfer. The result is accelerated innovation with faster time-to-market, improved process and product design, enhanced operations, more efficient and effective R&D and experimental programmes, and better-managed risk.
This introductory virtual training covers the use of PSE’s bioreactor model libraries in gPROMS FormulatedProducts. During the training attendees will learn the capabilities of the tool through guided hands-on exercises, presentations and video demonstrations. Attendees will gain hands-on experience configuring and calibrating a mechanistic bioreactor model using experimental data. Then they will learn how to perform optimisation to determine promising operating conditions to explore further. The last exercise will cover how global system analysis can be used to assess the system’s sensitivity to a wide range of process parameters, including feeding schedule and seeding variability.

Workshop 7: Chromatography
Chromatography processes are the downstream purification workhorses for many formulated products industries. They are the most expensive sections of the manufacturing process and are often the processing bottleneck. Process development is a significant task due to the large decision space, limited material availability and constricted timelines. Inherent variability in feed streams, high purity constraints, and maintenance issues such as resin fouling pose additional challenges.

Chromatography science-based digital twins can bring value to businesses across R&D, engineering, and manufacturing functions through digital design and optimisation, risk assessment, design space exploration and scale up/tech transfer. The result is accelerated innovation with faster time-to-market, improved process and product design, enhanced operations, more efficient and effective R&D and experimental programmes, and better-managed risk.
This introductory virtual training covers the use of PSE’s chromatography model libraries in gPROMS FormulatedProducts. During the training attendees will learn the capabilities of the tool through guided hands-on exercises, presentations and video demonstrations. Attendees will gain hands-on experience configuring and calibrating a mechanistic chromatography model using experimental data. Then they will learn how to perform a global system analysis to assess the system’s sensitivity to a wide range of process parameters, including elution settings and load variability. The last exercise will cover how mechanistic models can be used to de-risk the move from a batch to a continuous chromatography process.

Workshop 8: Membrane filtration
Membrane filtration processes are widely applied within dairy processing industries. In particular, ultra-diafiltration is extensively used in the concentration of whey and milk protein concentration and standardization. Membrane technology can ensure premium quality dairy products, product safety without decreasing nutritional value, as well as increased yield. There can be major industrial bottlenecks preventing higher membrane throughput such as strong flux decline by fouling, loss of desired component selectivity, and high energy and diafiltration water demands. The use of mechanistic models can assist to overcome these hurdles and develop high quality, high performing and long-lasting membranes.
A membrane filtration science-based digital twin can bring value to businesses across R&D, engineering, and manufacturing functions through digital design and optimization, risk assessment, design space exploration and scale up/tech transfer. Customers have used this digital twin in operations to minimize fouling while maintaining product quality, achieving a 10% increase in uptime and 10% decrease in CIP.
This introductory virtual training covers the use of Siemens PSE’s easy-to-use membrane filtration web application using the gPROMS Web Applications Platform. No prior modelling experience is required. During the training attendees will learn the capabilities of the tool through guided hands-on exercises, presentations, and video demonstrations. Attendees will get hands-on experience configuring and simulating single and multi-stage filtration processes, as well as instruction and discussion on how to interpret results. They will learn to use commercially available membrane modules to configure and optimize a membrane system.

Workshop 9: Continuous Direct Compression
Our continuous direct compression training session will help attendees get acquainted with PSE and gPROMS FormulatedProducts. Learn how our feeder and blender models have been applied in the industry, while getting hands-on experience simulating continuous direct compression systems, and instruction and discussion on how to interpret the results generated from the models. Learn how to use experimental data to estimate model parameters which cannot be directly measured. The calibrated unit operation models will be integrated into a system model that tracks disturbances through the process and assesses the risk associated with process variability. An automated series of simulations using our Global System Analysis (GSA) tool will be used to virtually explore the design space and assess the impact of the validated system’s sensitivity to a range of process parameters.

Workshop 10: Dry granulation
Our dry granulation training session will help attendees get acquainted with PSE and gPROMS FormulatedProducts. Learn how our roller compaction models have been applied in industry and use our libraries and templates to build your own drug product manufacturing process model. Attendees will get hands-on experience building their own flowsheets and configuring drug product material systems, and instruction and discussion on how to interpret the results generated from the models. Learn how to create templates to automatically import data from Excel spreadsheets then use this data to estimate model parameters which can’t be directly measured. The results of these model validations will be interpreted to understand the confidence in predictions. An automated series of simulations using our Global System Analysis (GSA) tool will be used to assess the impacts of the model’s sensitivity to changes in process parameters.

Workshop 11: Fluid Bed Granulation
Our fluid bed granulation (FBG) training session will help attendees get acquainted with PSE and gPROMS FormulatedProducts. Learn how our FBG model has been applied in the industry, while getting hands-on experience configuring a FBG system, and instruction and discussion on how to interpret the results generated from the models. Learn how to use experimental data to estimate model parameters which cannot be directly measured. An automated series of simulations using our Global System Analysis (GSA) tool will be used to virtually explore the design space and assess the impact of the validated sensitivity of key product properties to a range of process parameters.

Workshop 12: Spray Drying
Spray drying is used across many of the formulated products industries to manufacture powder with desired functional properties such as increased solubility. This energy intensive and costly operation is advantageous due to the suitability for thermally sensitive products, the control that can be applied to critical quality attributes of the powder and the ability to consistently reproduce the final product. The physiochemical properties of the final product are heavily influenced by the operating conditions implemented during spray drying.
A spray drying science-based digital twin can bring value to businesses across R&D, engineering, and manufacturing functions through digital design and optimization, risk assessment, design space exploration and scale up/tech transfer. Customers have used this digital twin to enhance the understanding of the spray drying process and its auxiliary units, provide insight into the complex formulation of particles during the operation, enable efficient process design, aid scale-up and tech transfer and optimize operations.
This introductory virtual training covers the use of Siemens PSE’s spray drying model libraries in gPROMS FormulatedProducts. During the training attendees will learn the capabilities of the tool through guided hands-on exercises, presentations, and video demonstrations. Attendees will gain hand-on experience configuring and calibrating a mechanistic spray dryer model using experimental data. They will learn how to characterise the drying kinetics of the process, validate the spray dryer flowsheet with process data, explore the potential operating space using Global System Analysis (GSA) and utilise the validated model in optimization of the process.

Workshop 13: Dairy spray drying
Spray drying is one of the most convenient and frequently used techniques for dehydrating dairy products. In fact, milk powder was the first commercial commodity made using industrial scale spray dryers. The removal of water from milk and whey helps prevent microorganism growth and preserves the product for later consumption. The physiochemical and microbiological properties of the final product are heavily influenced by the operating conditions implemented during spray drying. Spray drying of high lactose feeds are prone to increased stickiness leading to operational problems such as fouling and low product yield. The sticky behavior can be captured using mechanistic models to achieve successful drying.
A spray drying science-based digital twin can bring value to businesses across R&D, engineering, and manufacturing functions through digital design and optimization, risk assessment, design space exploration and scale up/tech transfer. Customers have used this digital twin to reduce energy requirements, avoid fouling, and downtime due to cleaning, as well as increase annual production capacity.
This introductory virtual training covers the use of Siemens PSE’s spray drying model libraries in gPROMS FormulatedProducts. During the training attendees will learn the capabilities of the tool through guided hands-on exercises, presentations, and video demonstrations. Attendees will gain hands-on experience configuring and calibrating a mechanistic spray dryer model using experimental data. They will learn how to predict product drying and stickiness and will use Global System Analysis (GSA) to assess the sensitivity of such outputs to process parameters such as air temperature and flow rate. The final exercise will cover how to perform optimization to determine optimal operating conditions to maximize spray dryer throughput.

Workshop 14: Tablet compaction
This training session will focus on the workflow behind the digital design, calibration and application of a tablet compaction model. By completing the training, you will become familiar with fundamental gPROMS platform features and the tablet press model within the gPROMS FormulatedProducts environment. The training has an emphasis on hands-on activities, where you will learn how to set-up and simulate tablet compaction models from scratch. You will be guided through the process of using experimental data to estimate parameters in order to calibrate your model so that it can predict the impact of blend composition on key tablet attributes. Our Global System Analysis (GSA) tool will be used to virtually explore the design space by running hundreds of model instances to assess the impact of the model’s sensitivity to a range of process parameters. In addition, you trainer will explain how the model can be extended to account for the effect of blend lubrication on the critical quality attributes of the tablet.  Finally, you will be shown how this calibrated unit operation model can be integrated into a dry granulation line to enhance process understanding and assess the trade-offs between dry granulation and direct compression.

Workshop 15: In-vitro Dissolution
Our In vitro dissolution training session will introduce users to the product performance libraries of gPROMS FormulatedProducts related specifically to drug substance solubility and drug product dissolution, in the context of quality control dissolution methods.  Attendees will learn how molecular properties and drug substance properties are stored and used by the model as they work through a series of hands-on sessions. Simulations will be performed on an acidic compound with emphasis on how to adjust formulation as well as in vitro method parameters and navigating and interpreting the auto generated reports. Attendees will then learn how to perform model validation to calibrate molecular properties from experimental data and understand how well the framework corresponds to what can be observed in the lab. Finally, attendees will learn how to use the Global System Analysis feature to create a virtual design space in which to explore the impact of uncertainty and experimental conditions on expected dissolution extent at relevant timepoints. After attending this training, you will be able to start applying the dissolution product performance model libraries to your own projects.

Workshop 16: Oral Absorption
Our oral absorption training session will introduce users to the product performance libraries of gPROMS FormulatedProducts. Attendees will learn how molecular properties are stored and used by the model as they work through a series of hands-on sessions. Basic simulations will be performed on a non ionizing compound and then an acidic or basic compound and finally a salt compound with emphasis on how to adjust formulation parameters, physiological conditions, and navigating and interpreting the auto generated reports. Attendees will then learn how to perform model validation to calibrate molecular properties from experimental data and understand how well the framework corresponds to what can be observed in the lab. Finally, attendees will learn how to use the Global System Analysis feature to create a virtual design space in which to explore the impact of uncertainty and physiological variance on expected absorption. After attending this training, you will be able to start applying the product performance model libraries to your own projects.

Workshop 17: gWAP end-user experience
Users will become more familiar with the use of web applications for simple calculations to support pharmaceutical process development. You will have the opportunity to explore three different gPROMS Web Applications.
·  Content uniformity: evaluate the relative standard deviation of API in a tablet from particle size distribution and dosage levels.
·  Cooling crystallization: examine KPI's through exploring process conditions such as agitation, see type and cooling profile.
·  Roller compaction: analyse the impact of equipment conditions on the ribbon density, porosity and throughput.

Workshop 18: gWAP developer workshop
Users will learn how to deploy models via the gPROMS Web Applications platform. A crystallization example will be used to demonstrate this workflow.

Workshop 19: Continuous Drug Substance Manufacture
The objective of this training is to introduce a typical workflow for continuous drug substance manufacturing process modelling in gPROMS FormulatedProducts. Through this workshop, the user will learn how to develop a digital twin for synthetic continuous manufacturing to predict process performance and product quality. The exercise is based on a case study depicting a process for continuous manufacturing of ibuprofen, which is based on an organic synthesis pathway using a CSTR, two plug flow reactors (PFRs) in series, followed by a liquid-liquid extractor (LLE) for final separation.
The main workshop activities will include:
·  Open, explore and simulate a pre-configured flowsheet,
·  Configure a continuous drug substance manufacturing process model,
·  Explore the effect of disturbance on the configured system,
·  Use Global System Analysis to explore the sensitivity of the mass flow rates of reagents and separation solvent,
·  Optimise API recovery considering constraints in solvent to feed ratio

Workshop 20: Batch flowsheeting
Our batch flowsheeting workshop will introduce users to a typical workflow for batch process flowsheet configuration for a drug product manufacturing process model in gPROMS FormulatedProducts. Attendees will learn how to build and configure an end-to-end batch dry granulation and tableting process flowsheet from scratch and how material transfer is defined for the batch flowsheet. The attendees will learn how upstream design decisions will affect the extent of lubrication and tablet tensile strength. The attendees will then learn how to perform a global systems analysis to explore the design space. Through this training, the user will become familiar with the gPROMS FormulatedProducts software interface, flowsheet configuration, material scheduling and design space exploration tools for drug product manufacturing.

Time
Topic
Speaker
09:00 - 09:10
Introduction & welcome
Mike Houghton, Siemens PSE
09:10 - 09:35

KEYNOTE

How digital process technology is driving responsiveness and sustainability in the process industries

 

Two key challenges facing the process industries are how to be as responsive as possible in the face of the rapidly-changing world economic and geopolitical situation, and how to make meaningful progress on pressing climate change objectives. Digital process technologies are key to dealing with both these challenges. Digital process design helps significantly accelerate process innovation and new process development, and digital applications for operations based on deep process knowledge are key to improving plant efficiency and reducing emissions for existing operations. Siemens is rapidly becoming an acknowledged leader in both these areas. Siemens PSE CEO Costas Pantelides describes how the accelerated development programme as part of Siemens Digital Industries is benefitting process organisations across numerous sectors.

Costas Pantelides, Siemens PSE
09:35 - 10:00

KEYNOTE

Siemens Xcelerator and the future of industrial operations 

Siemens Xcelerator is an open digital business platform featuring a curated portfolio of IoT-enabled hardware and software, a powerful ecosystem of partners, and an evolving marketplace. Mathias Oppelt describes the vision and why transforming industry together with customers is an integral part of this journey. He explains how Siemens PSE's digital process technology adds value by enabling deep process knowledge to be utilized in operations to optimize process plants, and how this creates a new portfolio for Siemens Xcelerator. 

Mathias Oppelt, Siemens
10:00 - 10:30
Refreshments
 
10:30 - 11:10

KEYNOTE

Real Change starts today: Decarbonisation – smart management of water-centric systems through digital process technologies

A key challenge for operating plants is the ability to achieve results from digitalization solutions rapidly, which requires the ability to rollout solutions with speed. Ecolab explains how its partnership with Siemens has created a scalable and rapidly deployable decarbonisation solution for its industrial customers. By combining the expertise of both Nalco Water and Siemens, the water-centric digital twin now gives Ecolab’s customers the opportunity to address emissions reductions through smart water management while simultaneously reducing operating expense. Neil Davidson, Marketing Director for Ecolab, explains the journey to the solution, the benefits of partnership and what it means for Ecolab’s customers.

Neil Davidson, Ecolab
11:10 - 11:50
KEYNOTE
Pharmaceuticals topic; to be announced
Gavin Reynolds, AstraZeneca
11:50 - 12:10

Poster presentation 'rapid-fire' session

The poster presentations are an important part of the APMF, and show how and where advanced process modelling technology is being used for research and innovation within universities, research institutes and R&D divisions of process organisations. In this session, presenters will provide a ‘rapid-fire’ (1-minute each) overview of their presentation, which will be available for viewing in the lobby areas during lunch and refreshment breaks.

 
12:10 - 12:20

Poster presentation winner 

Each year we choose the best poster presentation. Here we announce the winner, who gets a 10-minute slot to talk in more detail about their research.

 
12:20 - 13:50
Lunch, academic posters and demos
 
Time
Topic
Speaker
 
Digital design session 1
13:50 - 14:50
FP Updates - Digital design
Sean Bermingham, Siemens PSE
14:50 - 15:30
Applications of gPROMS Solvent Screening in drug substance and drug product workflows
Sadia Rahman, Pfizer
Samir Diab, GSK
15:30 - 15:50
Precipitation and oral absorption
Katharina Krollik, Merck KGaA
15:50 - 16:10
Refreshments
 
 
Regulatory session
Advanced process modelling approaches offer multiple benefits to both the development and industrialisation of pharmaceutical manufacturing processes. However, concerns around global regulatory acceptance are frequently cited as a barrier to wider uptake of advanced process modelling approaches within the pharmaceutical industry.  This session, hosted by GSK and with presenters from GSK, Astra Zeneca, Pfizer and Eli Lilly, is intended to promote discussion, share experience and identify opportunities to shape future regulatory engagement on this important topic.  Some of the subjects considered will be considerations when using mechanistic models for activities such as identifying risks to drug quality, defining control strategies, decision-making during commercial manufacture, and the post-approval changes to manufacturing processes. The presentations will be followed by an interactive panel discussion
Neil Hodnett, GSK (Chair)
16:10 - 16:30
Systems modelling to support an enhanced approach to product and process understanding
Harry Christodoulou, GSK
16:30 - 16:50
Model based commitments in pharmaceutical regulatory filings: past, present and future
Sal Garcia, Lilly
16:50 - 17:10
Opportunities and challenges to accelerated technology implementation and harmonization for Pharmaceutical Quality Manufacturing from the industry perspective
Olivier Dirat, Pfizer
17:10 - 17:35
Regulatory Considerations for Advanced Process Modelling panel discussion

Gavin Reynolds, AstraZeneca

Simeone Zomer, GSK

Sal Garcia, Lilly

Olivier Dirat, Pfizer

Time
Topic
Speaker
 
Digital process operations session 1
13:50 - 14:20

Using digital technologies to optimize the efficiency of Saudi Aramco’s CHP fleet

Saudi Aramco’s fleet of 15 combined heat & power (CHP) plants produce electricity and thermal energy for Aramco facilities across Saudi Arabia. A key part of the company’s decarbonization drive is to improve efficiency of the CHP fleet as rapidly as possible by replacing the existing Excel-based single-site optimization tool with a company-wide solution. As one of many process digitalization activities being undertaken within a well-established, multi-year collaboration, Aramco and Siemens PSE worked closely to implement a web-based online tool that optimizes all CHP plants in the fleet using advanced plant models and state-of-the-art optimization techniques. Initial energy savings are estimated at over $ 0.5 MM per site annually with a corresponding decrease in GHG emissions. Solomon Oji will describe the factors that made the project successful.

Solomon Oji, Saudi Aramco
14:20 - 14:50
Using digital process technologies to reduce unplanned furnace downtime
Syngas is a key intermediate in the production of industrially important bulk chemicals such as hydrogen, ammonia or methanol. Traditionally, it is produced through a series of reactions from natural gas or other carbon sources. The primary reformer is the heart of the Syngas production process and its efficient operation determine the economics of the whole process chain. The presentation will describe how Clariant uses a combination of modelling and advanced temperature measurement techniques to enable safe and economic catalyst operation by its customers.
Maximilian Dochnahl, Clariant
14:50 - 15:20

The critical role of water in emissions reduction

Water is central to industrial decarbonization. The most energy-intensive industrial operations (power production, ethylene, oil and gas, steel etc) are also very water-intensive, especially in the use of water as an energy transfer medium. Water is ideally suited to this purpose given its high heat capacity – one of the highest of any liquid. In oil refining for example, between 35 and 47% of the site’s total energy is transferred in steam production and cooling water. For conventional power generation we are looking close to 75%. To enable water to perform this vital role, it needs careful management so as to maximise productivity and efficient energy transfer without compromising reliability outcomes. Ultimately, a water-centric approach provides a clear pathway to decarbonisation while also strengthening energy security and enhancing competitiveness. Geoff Townsend describes Ecolab’s innovative developments in this area.

Geoff Townsend, Ecolab
15:20 - 15:50
Refreshments
 
 
Digital process operations session 2
15:50 - 16:20

Optimizing LDPE plant operation to maximize product quality and minimize rework

The low-density polyethylene plant, the biggest contributor to profit of all Petkim Petrochemicals’ polymer plants, is one of the largest ethylene consumers in the chemical complex. From the operational efficiency standpoint, increasing one-pass conversion within the thermodynamic limits is of paramount importance in obtaining higher polyethylene yields while keeping the polymer properties at the desired levels. SOCAR Turkey uses the power of advanced computing techniques to simultaneously solve complex reaction kinetics and fluid flow relationships via gPROMS and ANSYS Fluent respectively in a multizonal reactor model. This will provide the plant with cost-effective production through the use of advanced process models to achieve sustainability goals.

Özgün Deliismail, SOCAR

Alejandro Cano, Siemens PSE

16:20 - 16:50
Online measurement and nonlinear model predictive control (NL-MPC) of polymer processes
While linear model-predictive control (MPC) techniques have been applied very effectively to large-scale continuous plants over the last three decades, the approach cannot easily be applied to high-value batch or semi-continuous processes with multiple products and frequent grade changes, such as polymer production. One of the most exciting developments in control in recent times is viable non-linear model-predictive control. NL-MPC is now becoming a reality because of the availability of accurate, physics-based process models, the increased speeds and robustness of solution techniques, and the level and availability of real-time data delivered by recent digitalization initiatives. Rodrigo Ignacio Carvajal Oyarzo and Thomas Mohr describe the application of NL-MPC to polymer processes for continuous quality monitoring, yield maximization and acceleration of grade change to minimize production of low-value off-spec material during grade transition.

Rodrigo Ignacio Carvajal Oyarzo, LyondellBasell

Thomas Mohr, Siemens

16:50 - 17:20
LNG Liquefaction: deeper understanding of black box processes to generate value
A combination of high gas prices and the pressure to decarbonize is driving LNG producers to maximise revenue from existing assets as early as possible. Digital process technologies are key to achieving these objectives without significant capital investment. Siemens’ customer has embarked on a multi-year pilot initiative focused on one of its production facilities to use validated high-fidelity dynamic models as the basis for APC design, to enhance operational efficiency and to optimize operation during large throughput changes. This presentations describes progress to date.
Praveen Lawrence, Siemens
Time
Topic
Speaker
09:00 - 09:40

gPROMS Platform developments – pushing the state-of-the-art in high-performance equation-oriented modelling

As more and more companies adopt digital process technologies to drive accelerated innovation and increasing production efficiency, the applications themselves – for-example, multi-site optimization – become increasingly larger and more complex. The gPROMS platform continues to represent the state-of-the-art in equation-based modelling and solution for large-scale, complex industrial applications, and development is focused on maintaining Siemens’ leading position in this area. Recent development include advances in hybrid modelling approaches that combine physics-based and data-driven models , as well as the ability to apply machine learning to large-scale physics-based models to generate much more compact “surrogate” models that are more amenable to real-time computation while preserving solution validity. gPROMS chief architect Costas Pantelides describes the significant advances that have been made over the last 18 months, and the implications for the process industries.

Costas Pantelides, Siemens PSE
09:40 - 10:20

gPROMS Properties – creating an industry-leading physical properties capability

A key consideration of virtually all process models is correct handling of materials properties and thermodynamic behaviour. Siemens’ goal with gPROMS Properties is to have a single properties and thermodynamics engine that consistently and comprehensively covers all systems, including solid phases and reactive systems, and can also deal with complex compounds such as associating compounds, polymers and electrolytes – even in situations where little or no experimental data is available. Following the initial release of gPROMS properties last year, Tom Lafitte describes the latest developments in the ongoing multi-year R&D programme.

Tom Lafitte, Siemens PSE
10:20 - 10:50
Refreshments
 
10:50 - 11:30

gPROMS Digital Applications – deploying deep knowledge in process operations & control

A key component of digital process technology is the ability to use high-fidelity process models – whether full-fidelity physics, data-driven surrogates or a hybrid of the two – on the plant, combined with plant data. This brings deep process knowledge into process operations and control to provide a variety of powerful, new and high-value digital applications for monitoring, soft-sensing, real-time optimization, operator what-if analysis and more.  Siemens PSE, working with leading operating companies, has invested significantly over the last four years in creation of a robust, fail-safe framework for managing data and online model execution that enables building, testing, deploying and troubleshooting robust, resilient and efficient Digital Applications. The gPROMS Digital Applications Platform (gDAP) is a now proven vehicle for applications in industry sectors from food & beverage to oil & gas and petrochemicals. Frances Pereira describes the current state of the platform and recent developments in the related gPROMS Unified Applications Builder.

Frances Pereira, Siemens PSE
11:30 - 12:00

Operator training & virtual commissioning for a CDC line

Dirk Wollaert, Siemens Belgium
12:00 - 13:30
Lunch
 
Time
Topic
Speaker
 
Digital design session 2
13:30 - 13:50
Digital design tools to predict flowability of pharmaceutical blends, and their use in drug product manufacture flowsheet models
Magdalini Aroniada, GSK
13:50 - 14:10
Modelling & digitalization in Roche’s CMC division
Patrick Piccione, Roche
14:10 - 14:30
Membranes
Baptiste Boit, Roquette
14:30 - 14:50
Starting an Advanced Modelling Platform at Avebe: Experiences and challenges in the first 3 years
Yannick Onstenk, Avebe
14:50 - 15:20
Refreshments
 
 
Digital operations
15:20 - 15:40
Development of process models as a scale-up and optimization tool on a web based application platform
Chethana Janardhana Gadiyar, Roche 
15:40 - 16:00
Challenges and opportunities in Biologics
To be confirmed
16:00 - 16:20
Digital twin for fluid bed granulation
Mengke Lu, Bayer
16:20 - 17:00
[PANEL] Opportunities in the formulated products industries for digital applications

Sal Garcia, Lilly

Roland Heymann, Siemens F&B

Sherwin Safavi Nic, Danone

Time
Topic
Speaker
 
Digital process design session 1
13:30 - 14:00

Digital process design with gPROMS Process – ‘process simulation for the digital age'

In the same way that process simulation revolutionised process design in the 1980s, digital process design technology is helping to underpin a new age of innovation and rapid development in the process industry. Digital process design involves the use of high-fidelity models, which can include hybrid physics and data-driven models, calibrated against data where necessary, within a framework of advanced analytic and optimization techniques. This makes it possible to explore the design and operational decision space rapidly and effectively, then apply multivariate optimization to come up with the optimal process that locks in value over the lifetime of the operation.  Following substantial investment by Siemens, gPROMS Process is rapidly becoming the leading digital process design tool for industries from pharmaceuticals and food to petrochemicals and clean energy. Product Manager Mariana Marques provides an overview of the product and recent developments, which can be seen in more detail in other presentations and demonstrations throughout the APMF.

Mariana Marques, Siemens PSE
14:00 - 14:30

Using digital design to ensure industrial viability of new nuclear-derived hydrogen processes

Hydrogen is set to play an ever-increasing role in the energy economy as a key fuel to help meet net-zero targets and decarbonise sectors that are difficult to electrify. Nuclear-derived hydrogen should play a large part in that supply network. However, while coupling a hydrogen production process with a nuclear reactor offers opportunities for more efficient processes, it also creates system interactions between interlinked processes and raises safety and operability concerns that need to be analysed and addressed. Christopher Connolly describes how modelling increases understanding and forms the basis of optioneering, as well as industrial viability and safety assessments. He also describes how NNL are building a toolkit that cuts across economic modelling, balance of plant and chemical synthesis as part of a programme of work to investigate hydrogen generation from nuclear.

Christopher Connolly, National Nuclear Laboratory
14:30 - 15:00
Using digital twin technology to accelerate decarbonisation of the steel industry
Bernd Weiss, Primetals
15:00 - 15:30
Refreshments
 
 
Digital process design session 2
15:30 - 16:00

Using digital process design to accelerate reactor design for a new process

Design of a high-performance reactor requires many decisions and trade-offs, which are impossible to make without high-quality information. Johnson Matthey applied digital process design techniques to their process to ensure an efficient design. This involved building custom dynamic models of the reactor within gPROMS Process, then using these to explore the decision space – in particular, to investigate different feed scenarios based on expected plant operation. The output of the model-based analysis helped the team to make informed design decisions, and optimize the size of the reactor. Marion van Dalen describes the reactor design process.

Marion Van Dalen, Johnson Matthey
16:00 - 16:45

Digital process innovation showcase:

Digital process technology is being used to accelerate innovation and improve operational efficiency in many diverse areas of the process industries. Digital process design approaches help innovators make rapid decisions and reduce time-to-market for new processes. The application of high-fidelity models online provides a rapid way to enhance operational performance of existing plants and reduce emissions with little or no capital expenditure. Mayank Patel provides an overview, followed by three short presentations describing innovative developments underway.

 

Mayank Patel, Siemens PSE

 

 

 

 

 
Using digital process twins to accelerate development of new hydrogen processes for Zero-Emissions Flight
Jordan Amir-Hekmat, Protium
 
Reducing energy use in wastewater treatment - the Spring initiative
Ewa Bozek, Siemens
 
Driving innovation in refinery modelling
Hep Ingham, Chevron