Abstract: Computer-based process modeling and simulation methods and systems combine first principles models and machine learning models to benefit where either model is lacking. In one example, input values (measurements) are adjusted by first principles techniques. A machine learning model of the chemical process of interest is trained on the adjusted values. In another example, a machine learning model represents the residual (delta) between a first principles model prediction and empirical data. Residual machine learning models correct physical phenomena predictions in a first principles model of the chemical process. In another example, a first principles simulation model uses the process input data and predictions of the machine learning model to generate simulated results of the chemical process.

Abstract: Computer-implemented methods and systems construct a calibrated operation-centric first-principles model suitable for online deployment to monitor, predict, and control real-time plant operations. The methods and systems identify a plant-wide first-principles model configured for offline use and select a modeled operating unit contained in the plant-wide model. The methods and systems convert the plant-wide model to an operation-centric first-principles model of the selected modeled operating unit. The methods and systems recalibrate the operation-centric model to function using real-time measurements collected by physical instruments of the operating unit at the plant. The recalibration may include reconciling flow and temperature, estimating feed compositions, and tuning liquid and vapor traffic flow in the model. The methods and systems deploy the operation-centric model to calculate KPIs (Key Performance Indicators) using real-time measurements.

Abstract: Embodiments are directed to computer methods and systems that build and deploy a pattern model to detect an operating event in an online plant process. To build the pattern model, the methods and systems define a signature of the operating event, such that the defined signature contains a time series pattern for a KPI associated with the operating event. The methods and systems deploy the pattern model to automatically monitor, during online execution of the plant process, trends in movement of the KPI as a time series. The methods and systems determine, in real-time, a distance score between a range of the monitored time series and the time series pattern contained in the defined signature. The methods and systems automatically detect the operating event in the online industrial process based on the determined distance score, and alter parameters of the process (e.g., valves, actuators, etc.) to prevent the operating event.

Abstract: System and methods that provide a new paradigm for solving process system engineering (PSE) problems using embedded artificial intelligence (AI) techniques. The approach can facilitate process model building and deployment and benefits from emerging AI and machine learning (ML) technology. The systems and methods can define PSE problems with mathematical equations, first principles and domain knowledges, and physical and economical constraints. The systems and methods generate a dataset of recorded measurements for variables of the process, and reduce the dataset by cleansing bad quality data segments and measurements for uninformative process variables from the dataset. The dataset is then enriched by, for example, applying nonlinear transforms, engineering calculations, and statistical measurements.

Abstract: Computer-based process modeling and simulation methods and systems combine first principles models and machine learning models to benefit where either model is lacking. In one example, input values (measurements) are adjusted by first principles techniques. A machine learning model of the chemical process of interest is trained on the adjusted values. In another example, a machine learning model represents the residual (delta) between a first principles model prediction and empirical data. Residual machine learning models correct physical phenomena predictions in a first principles model of the chemical process. In another example, a first principles simulation model uses the process input data and predictions of the machine learning model to generate simulated results of the chemical process.

Abstract: Embodiments are directed to computer methods and systems that build and deploy a pattern model to detect an operating event in an online plant process. To build the pattern model, the methods and systems define a signature of the operating event, such that the defined signature contains a time series pattern for a KPI associated with the operating event. The methods and systems deploy the pattern model to automatically monitor, during online execution of the plant process, trends in movement of the KPI as a time series. The methods and systems determine, in real-time, a distance score between a range of the monitored time series and the time series pattern contained in the defined signature. The methods and systems automatically detect the operating event in the online industrial process based on the determined distance score, and alter parameters of the process (e.g., valves, actuators, etc.) to prevent the operating event.

Abstract: Embodiments are directed to computer methods and systems that construct a calibrated operation-centric first-principles model suitable for online deployment to monitor, predict, and control real-time plant operations. The methods and systems identify a plant-wide first-principles model configured for offline use and select a modeled operating unit contained in the plant-wide model. The methods and systems convert the plant-wide model to an operation-centric first-principles model of the selected modeled operating unit. The methods and systems recalibrate the operation-centric model to function using real-time measurements collected by physical instruments of the operating unit at the plant. The recalibration may include reconciling flow and temperature, estimating feed compositions, and tuning liquid and vapor traffic flow in the model.