Webinar archive

Past webinars are available for on-demand viewing. Learn more about gPROMS, Advanced Process Modelling and other topics in the following categories...

Chemicals & Petrochemicals

gPROMS Reactor digital twins – Using deep process knowledge to support operational decisions
Complex multitubular reactors are at the heart of many chemical processes, and their performance is often key to plant profitability. However, operators often have little visibility of internal performance, relying instead on limited product stream instrumentation and after-the-event analysis. As the supply of raw materials and demand for products changes more quickly than ever before, operators adopt a conservative approach to ensure production. Without detailed insight into the reactor’s operation, money is left on the table.
gPROMS Reactor digital twins
June 18, 2019
Easy design and operational analysis of pressure swing adsorption systems
Adsorption process development is typically a slow, iterative procedure where the goal is restricted to confidence rather than optimisation. Engineers must rely on pilot plant testing and design heuristics because legacy simulation software is unsuited to the flow reversals, fast transients and discontinuities inherent to cyclic separations. Equation-oriented dynamic modelling can solve cyclic separation systems rapidly and robustly, allowing engineers to answer design and operational questions based on accurate predictions.
Cyclic separation
May 14, 2019
From laboratory to industrial operation: Model-based digital design and optimization of fixed bed catalytic reactors
Digital design approaches are rapidly replacing traditional experimentation and pilot-based techniques in catalytic reactor design and operation. The ‘lifecycle’ new approaches use validated high-fidelity models to minimise experimentation time and reduce or eliminate the need for pilot plants; explore the decision space rapidly to result in optimal catalyst and reactor design combinations; quantify and design out uncertainty and risk; and use the models as online digital twins to monitor and optimise operation and provide operator decision support.This webinar provides a brief overview of the laboratory-to-industrial reactor approach, using workflows and methodologies that have been applied successfully over many years to many different fixed-bed catalytic reaction processes.
Catalytic Reactors
May 08, 2019
Advanced modelling of cyclic separations
Cyclic separation processes are more important than ever to the chemical process industries. Gas-phase processes such as PSA, VSA and TSA enable air separation, hydrogen purification, CO2 capture and many other applications. Liquid-phase processes such as SMB and liquid chromatography create high value-added products. The importance of cyclic separation processes creates a strong incentive for optimisation.
Cyclic separation
November 13, 2018
Modelling distillation process dynamics in gPROMS ProcessBuilder
Typically, distillation columns are designed and operated based on time-invariant (steady state) analysis. In reality however, distillation processes are continuously subject to disturbances, caused by variations in feedstock, changes in product requirements, the availability of utilities, and so on. Dynamic modelling is a key technology for optimising column design and operation. It can be used to understand the effects of feed and product quality changes, periodic feed upsets and abnormal operation, and then to design and tune control schemes capable of dealing with such disturbances.
October 31, 2018
Optimising catalytic reactor design and operation
Reliable optimisation of the design and operation of fixed-bed catalytic reactors requires highly detailed models that can represent the relevant phenomena at all scales – from microscale reaction and diffusion in the catalyst pores to macro-scale operation in the full industrial reactor geometry. PSE’s Advanced Model Library for Fixed-Bed Catalytic Reactors provides detailed catalyst and packed bed models for heterogeneous catalysis, plus cooling models for tubular and annular reactors, to allow high-fidelity modelling of virtually any kind of fixed-bed reactor.
Catalytic Reactors
May 22, 2018
Optimising styrene plant operations
The performance of styrene plants is highly dependent on chosen operating conditions, the availability of utilities and current market price of ethylbenzene, styrene, toluene and benzene. Styrene production plants are typically integrated facilities, with complex reactors, significant material re-cycles and heat integration, which poses considerable challenges for process optimisation. This webinar explains how a rigorous approach based on advanced process models, now available off-the-shelf in the gPROMS ProcessBuilder advanced process flowsheeting environment, can help identify real additional value in operation.
Styrene plant optimisation
November 15, 2017
gPROMS Utilities: Advanced utilities optimisation for process plants
Plants consume fuels, electricity and steam in time-varying quantities, and via multiple routes. The process plants themselves can generate steam and fuels, electricity can be sold to the grid and the prices of the various components can change hourly. Added to this complexity are day-to-day changes in major equipment availability. PSE’s gPROMS Utilities suite helps find a way through the maze by applying rigorous optimisation technology to process models of the utility system, taking into account demands, prices and availability, to find the economically optimal operating profile for any situation.
gPROMS Utilities
December 11, 2018
gSAFT for polymer modelling: Advanced physical property prediction in gPROMS
Accurate prediction of physical properties is an essential component of process modelling. The advent of equations of state derived formally from molecular-level interactions, such as those based on the Statistical Associating Fluid Theory (SAFT), marks a step change in this context. This webinar demonstrates the application of gSAFT to an issue of particular relevance to the pharmaceutical industry: solubility prediction. Topics include:
  • Predictive capabilities of gSAFT for polymer solutions
  • Defining polymer mixtures in gSAFT
  • Accurate and reliable phase equilibrium calculations for mixtures involving polymers
  • Reactor modelling: modifying the polymer structure during process simulation: variable molecular structures in gSAFT
gSAFT for Polymer Modelling
November 2, 2016
Batch process optimisation
The dynamic nature of batch processing makes process optimization a challenging task unsuited to traditional steady-state simulation tools. Model-based engineering empowers the engineer to explore, evaluate and optimize alternative operating policies, making it possible to enhance product quality, minimize batch time to increase throughput subject to quality and other constraints, and optimize recipes for different equipment or product qualities.
Batch process optimisation
October 27, 2016
Advanced dynamic modelling of compression trains using gPROMS ProcessBuilder
Compression trains affect the efficiency and profitability of many industrial sectors including Chemicals, Oil & Gas and Carbon Capture. This webinar describes how Advanced Process Modelling can help optimise compression train operation. Through detailed dynamic modelling, different anti-surge control configurations can be tested, taking into account interactions with other control system and process units. The presentation also describes an approach to determine optimal start-up and shut-down procedures. Compression train optimisation has been shown to increase throughput by 20% and reduce energy consumption by 10%.
Compression trains
July 9, 2015

Life Sciences

Applications of digital twins in continuous drug product manufacturing
The advent of continuous manufacturing in the pharmaceutical industry has sparked an increased interest in advanced process understanding, digital design, and modernising pharmaceutical manufacturing technology. Mechanistic model-based approaches have been developed and implemented to facilitate risk assessment, design space exploration, and Quality-by-Design in the emerging field of continuous drug product manufacturing.
Applications of digital twins in continuous drug product manufacturing
November 15, 2018
Integration of downstream unit operations in crystallization process design
In the first part of this work, we examine a continuous cooling crystallization cascade process and explore its optimization, while maintaining the content uniformity of the final solid oral dosage form. A number of optimization objectives are then posed, which include increasing throughput of the API and impact of continuous seeding. In the second portion, a model-based workflow for the scale-up of filtration is presented. The workflow begins with the estimation of the filtration properties from small scale pressure filter experiments. The cake properties were subsequently employed within a centrifuge model to predict the filtration behavior of the system at plant scale and to optimize the process schedule.
Integration of downstream unit operations in crystallization process design
December 14, 2016
Digital Design of Drug Product: application of global system analysis to a tablet manufacturing process
Traditionally, formulation and process development within the pharmaceutical industry is driven by extensive trial-and-error experimentation. The Digital Design of Drug Product (D3P) project integrates qualitative and quantitative tools to facilitate an approach to formulation and process design based on the development of fundamental process and product understanding. A global system analysis approach has been used to realise an in-silico ‘design space explorer.’ This tool is applied to a roller compaction tablet manufacturing process to understand the impact of raw material and process changes on product quality. The approach can be used to inform risk assessment and to design a robust control strategy for the product.
Digital Design of Drug Product
October 13, 2016
gSAFT for solubility prediction: Advanced physical property prediction in gPROMS
Accurate prediction of physical properties is an essential component of process modelling. The advent of equations of state derived formally from molecular-level interactions, such as those based on the Statistical Associating Fluid Theory (SAFT), marks a step change in this context. This webinar demonstrates the application of gSAFT to an issue of particular relevance to the pharmaceutical industry: solubility prediction. Topics include:
  • Theoretical background for prediction of solid/liquid equilibria
  • Gibbs free energy models for solid phases
  • Solubility predictions of complex molecules in pure and multicomponent solvents, with particular emphasis on active pharmaceutical ingredients
gSAFT for Solubility Prediction
September 28, 2016
Precipitation of poorly soluble drugs: Experimental investigation using the Artificial Stomach Duodenum System and kinetics modelling using the gCOAS oral absorption model
In vivo drug precipitation has been a major issue facing poorly soluble drugs, especially weak bases. This work aims to provide a framework on how to use the Artificial Stomach Duodenum (ASD) System to assess the extent of precipitation of poorly soluble compounds under biorelevant conditions. The concentration profiles measured in the ASD System are used as inputs in the gCOAS® ASD model to estimate the nucleation and growth kinetic parameters. These crystallization kinetic parameters are then used in the gCOAS GI tract model to simulate in vivo precipitation under human fasted conditions and to calculate the fraction absorbed as a function of dose.
Lilly ASD and gCOAS
June 15, 2016
Systems-based Pharmaceutics: Risk management and reducing iterations between drug product and manufacturing process design
This webinar presents how Systems-based Pharmaceutics is transforming pharmaceutical process development and how it will continue doing so in future. Topics include:
  • The Systems-based Pharmaceutics vision
  • How industry and academia are collaborating to make this vision a reality: SbP Alliance, D3P, REMEDIES and ADDoPT
  • Industrial case studies illustrating use of systems approaches in drug substance manufacture, drug product manufacture and in-vitro / in-vivo drug product performance
SbP Phase 2
March 23, 2016
gCOAS: A comprehensive framework for mechanistic modelling of biopharmaceutics performance
This webinar explores the high fidelity (or mechanistic) mathematical models which underpin the oral absorption and in vitro dissolution and precipitation simulations, in the context of case studies presented in previous gCOAS webinars. Topics include:
  • Population balance tracking of particle size distribution
  • Detailed, mechanistic precipitation and dissolution models
  • And more…
gCOAS framework
December 16, 2015
Biopharmaceutics risk assessment via gastrointestinal modelling
The biopharmaceutics performance of drug products can depend on multiple factors, including drug substance physicochemical properties, particle size distribution, patient physiology and dosage form composition. Even to the most experienced investigators, the interplay of these factors is not intuitive. In silico modelling allows for the low cost, rapid identification of risk factors affecting drug absorption. Formulators can then develop risk mitigation strategies before clinical trials, allowing them to design clinical studies to understand, confirm and mitigate the predicted risks.
Gastrointestinal modelling
October 8, 2015
Prediction of drug absorption in the human intestine - a case study
As the pharmaceutical industry faces increasing pressure to bring new and better drugs to market earlier, formulation scientists are challenged to reduce expensive, time-consuming animal and human trials. Accurate predictions of oral absorption based on physicochemical properties can help identify and mitigate formulation risk factors prior to FIA trials. This webinar presents a case study of mechanistic oral absorption simulation for the drug ziprasidone , a hydrochloride salt demonstrating a number of challenges for effective formulation. The presentation is based on work done in gCOAS, a new analysis tool for a priori prediction of drug absorption.
Oral absorption
May 6, 2015
Design Space: Modelling an industrial chromatographic bioseparation in the face of process variability
Advanced process modelling is being used to increase the robustness of chromatographic bioseparations in the face of process variability. This presentation describes how the development and validation of a mechanistic model of a chromatographic separation where resin lot variability can cause significant performance issues. The model was successfully applied to enable process operation further away from high risk regions, to increase the size of operating regions and improve flexibility to variations in process inputs.
Chromatographic bioseparations
July 11, 2013
Systems-based Pharmaceutics
Systems-based Pharmaceutics (SbP) is a holistic approach to the development and optimisation of drug manufacture and drug delivery. It applies high-fidelity mechanistic models validated against experimental data to increase R&D efficiency (making better use of PAT), perform smarter and faster tech transfer (fewer large scale trials) and ultimately design optimal processes using an industrially validated QbD approach. SbP has the potential to transform pharmaceutical process development.
Systems-based Pharmaceutics
December 20, 2012

Formulated Products

Spray Drying - Enhancing digital design and operation with mechanistic models
Spray drying is widely used to create powders with a broad scope of application such as detergents, food powders and pharmaceuticals. Combining mechanistic models with targeted experiments enables efficient development of robust spray drying processes. This webinar will examine the workflow needed to utilise a combined approach.
Spray Drying
July 11, 2018
gPROMS FormulatedProducts - Digital design of robust formulated products and their manufacturing processes
gPROMS FormulatedProducts® is PSE's platform for the design and optimisation of formulated products and their manufacturing processes. It allows scientists and engineers to screen formulations for end-user attributes, determine whether they can be manufactured efficiently, and explore the design space of the whole formulation and manufacturing chain.
gPROMS FormulatedProducts Preview
May 17, 2018
Digital design for batch cooling crystallization - an industrial case study focused on reliable and efficient scale-up
Model-based scale-up and optimisation is a powerful technique for achieving the desired product quality and reducing the cost of experimentation and the time to market. For complex crystallization processes, population balance modelling is capable of predicting the effect of the batch recipe on the particle size distribution (PSD) of the final product. However, this technique is mathematically complex and has traditionally required deep knowledge of specialist areas. New tools allow engineers to apply population balance modelling without highly-specialised numerical skills.
Batch cooling crystallizatoin
April 26, 2018
Mathematical modelling for development, scale-up and optimisation of lyophilisation
Lyophilisation (or freeze-drying) is an important unit operation of pharmaceutical, biopharmaceutical and food technology allowing drying of heat sensitive products at low temperature. Several research groups and industrial companies have developed, tested and published mathematical models of the primary and secondary drying based on physical laws. There is a need for lyophilisation models written in a modern, user-friendly programming language allowing fast parameter estimation, automatic graphical outputs and parametric sensitivity studies.
May 17, 2017
Modelling the Effect of Process Variables on the Polymorphic Transformation of L-Glutamic Acid
Polymorphic transformation greatly increases the difficulty of design and optimisation for crystallization processes. This webinar shows how gCRYSTAL® allows scientists and engineers to efficiently and accurately model the effects of process variables such as seed size, mass, contamination level and agitation rate.
Polymorphic transformation
March 27, 2013
Challenges in Combined Antisolvent and Cooling Crystallization
High-fidelity predictive modeling of crystallization processes allows design and operating decisions to be based on accurate information obtained by combining fundamental physics and experimental or operating data.
Combined Antisolvent and Cooling Crystallization
December 5, 2012
Scale-up of Impact Milling
Accelerate scale-up with a low-cost, low-risk procedure that minimizes the time required for experimentation.
Scale-up of Impact Milling
July 12, 2012
Batch to Continuous: Exploring the design space for multi-stage continuous cooling crystallization
Applying gCRYSTAL® to a process involving multiple Mixed Suspension Mixed Product Removal (MSMPR) crystallizers.
Batch to Continuous Crystallization
July 11, 2012

Oil & Gas

Please see the Oil & Gas Webinar Archive for presentations on production optimisation, natural gas processing and the relief, flare and blowdown centre of expertise.

Power & CCS

Digital technologies supporting Carbon Capture and Storage development in Japan
This webinar will cover how state-of-the-art model-based engineering techniques can used to guide R&D efforts in CO2 capture, reduce Capital Expenditure of CCS projects and optimize dynamic operation of CCS chains.
CCS Developments in Japan
March 23, 2016
Whole-chain System Modelling for Carbon Capture and Storage
Design and operation for safe, commercially-viable CCS chains involves many techno-economic trade-offs between diverse stakeholders. In order to proceed to commercial-scale operation with confidence, many questions need to be answered, with decisions based on accurate quantification. System-wide modelling is the key enabling technology for such analysis. This webinar demonstrates the benefits of system modelling to owner-operators, process vendors, engineering companies and equipment vendors.
Whole Chain CCS
April 4, 2013
Model-based Economic Optimisation of CO2 Compressor Train Design & Operation
Compressor trains are typically designed in an iterative fashion using heuristics rather than true optimisation techniques. Commercially-viable Carbon Capture & Storage chains will require flexibility and economic optimisation that typical design techniques cannot deliver. Model-based economic optimisation accurately quantifies the effects of design and operational choices, and replaces the current iterative design practice with a single-step procedure.
Economic Optimisation of CO2 Compressor Trains
December 12, 2013

Fuel Cells & Batteries

Fuel cell system design: Making the most of experimental data
Fuel cell designers and system manufacturers face the challenge of interpreting large volumes of experimental data in order to design and optimise their products. This webinar focuses on how data can be processed to uncover precision details of cell, stack and system performance. The complementary use of experimental data and validated mathematical models in the life cycle of fuel cell system design brings to light design limitations and provides a basis for more effective experimentation and optimisation.
Fuel Cells
February 19, 2015

Wastewater Treatment

New techniques for optimising industrial and urban wastewater systems
Wastewater systems optimisation based on high-fidelity process models has been shown to reduce plant energy consumption by up to 40% while maintaining water purity standards. This webinar demonstrates how plant operators can run efficient, effective industrial and urban wastewater treatment plants that can adapt to any change in incoming pollutant load, power and chemical costs, effluent purity standards or environmental regulations. It also illustrates how operators can accurately determine the effect on plant operation of upgrades and retro-fits, using the retro-fit of a bio-filtration process as an example.
June 8, 2016
Model-based optimisation of wastewater systems
Wastewater systems optimisation based on high-fidelity process models has been shown to reduce plant energy consumption by up to 40% while maintaining water purity standards. This webinar demonstrates how plant operators can run efficient, effective wastewater treatment plants that can adapt to any change in incoming pollutant load, power and chemical costs, effluent purity standards or environmental regulations. It also illustrates how operators can accurately determine the effect on plant operation of upgrades and retro-fits, using the retro-fit of a bio-filtration process as an example.
Wastewater Systems
June 25, 2014

Model Development & Deployment

Recovering investment and increasing value from legacy models
Many companies have valuable corporate knowledge captured in legacy process models. Some models are written in general purpose programming languages such as FORTRAN or C++, some are in overextended spreadsheets, and others are held hostage in simulation environments that are no longer actively supported. This webinar provides a step-by-step approach to move valuable models from legacy applications to a modern modelling platform.
Legacy Models
July 6, 2018
Digital Design: Using large-scale optimisation to make multiple process decisions simultaneously
This webinar describes how large-scale MINLP optimisation can be used to maximise the profitability of complex chemical plants, both at the engineering design stage and during operation. One of the two cases illustrated here led to identified savings of 10s of millions of euros per year. In the production of chemicals such as propylene oxide and styrene monomer, the annualised cost of the process (and hence its profitability) is strongly influenced by the capital cost of the reactor and separation equipment, and the energy requirements for large distillation columns. Thus when determining the optimal process design, it is essential to consider all key decisions simultaneously, including both the reaction and separation sections.
Large scale optimisation
July 2, 2018
Digital Design: Global System Analysis - new tools to quantify the effects of uncertainty and manage risk
The main use of process simulation and modelling tools is to analyse "what-if" scenarios in order to improve process design and operation. Currently this is mostly done manually as a point activity, using repeated simulation runs. gPROMS’ global system analysis (GSA) represents new technology to systematically and comprehensively quantify the effect of uncertainty in the operation and design of chemical processes at large scale. It allows users to quickly and easily assess the impact of uncertainty in input factors on key outlet responses in a system in order to explore the design or operational space rapidly and effectively, reduce uncertainty, manage risk in process innovation and support investment decisions.
Global System Analysis
June 20, 2018
Digital Design: New tools to streamline model validation and develop predictive models faster
Validating a process model with experimental data is a key part in ensuring that the model is both accurate and predictive across a range of scales. PSE has recently augmented its state-of-the-art model validation technology, significantly streamlining the validation workflow.
Global System Analysis
June 12, 2018
gPROMS ProcessBuilder: Next-generation process flowsheeting simulation and optimisation
gPROMS ProcessBuilder is a next-generation Advanced Process Modelling environment for optimising the design and operation of process plants. ProcessBuilder combines industry-leading steady-state and dynamic models with all the power of the gPROMS equation-oriented modelling, analysis and optimisation platform in an easy-to-use process flowsheeting environment. This webinar will show how gPROMS ProcessBuilder is transforming the way the process industries design and operate by unlocking new value and competitive advantage in 'already optimised' processes.
gPROMS ProcessBuilder
September 14, 2017
Teaching process modelling in chemical engineering - perspectives from academia and industry
Process modelling plays an ever-increasing role within process organisations, with initiatives such as Smart Process Manufacturing placing models at the heart of process design and operation. However the teaching of modelling in university undergraduate courses often lags the demands of industry. One of the key challenges is the time and effort required to develop new courses that cover all relevant aspects, from first-principles, mechanistic modelling to the systematic application of optimisation techniques.
gPROMS ProcessBuilder
December 1, 2016
Introduction to gSAFT: Advanced physical property prediction in gPROMS
Accurate prediction of physical properties is an essential component of process modelling. The advent of equations of state derived formally from molecular-level interactions, such as those based on the Statistical Associating Fluid Theory (SAFT), marks a step change in this context. SAFT-type approaches are capable of accurately modelling challenging systems, from small gas molecules to polymers, surfactants and electrolytes, all within a consistent theoretical framework.
Intro to gSAFT
September 14, 2016

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