Abstract: Activated workflow engine, system and method are configured for simulation modeling and an integrated suite of relevant applications. The workflow engine pre-configures workflows of the simulation modeling application. When an end user performs a transaction in the simulation model, the necessary and sufficient information is gathered automatically from the context of the transaction. From the gathered information, the activated workflow engine matches appropriate variables and assigns input values to suit the workflows which are applicable to the transaction. This facilitates the ability to invoke multiple workflows associated with this transaction and subsequently validates the “activated state” of these workflows. When the underlying simulation model or the main transaction is executed, the workflows are activated, the input variables get populated, and the independent workflows get invoked automatically (without requiring manual further input).

Abstract: The ability to perform non-destructive editing of files and models requires the generation and persistence of input deltas that capture changes that are made to a base starting point. Reconstitution of saved state may be achieved through the application of deltas. This capability is useful for failover remediation in client/server environments since the client has access to the deltas, such that in the event that a stateful service becomes unresponsive (and therefore, no longer available), the service may be taken offline and a new resource may be assigned as a replacement. In such an event, the service is directed to load the baseline data and any changes may be reapplied, restoring the service state.

Abstract: An integrated multivariable predictive controller (MPC) and tester is disclosed. The invention system provides optimal control and step testing of a multivariable dynamic process using a small amplitude step for model identification purposes, without moving too far from optimal control targets. A tunable parameter specifies the trade-off between optimal process operation and minimum movement of process variables, establishing a middle ground between running a MPC on the Minimum Cost setting and the Minimum Move setting. Exploiting this middle ground, embodiments carry out low amplitude step testing near the optimal steady state solution, such that the data is suitable for modeling purposes. The new system decides when the MPC should run in optimization mode and when it can run in constrained step testing mode. The invention system determines when and how big the superimposed step testing signals can be, such that the temporary optimization give-away is constrained to an acceptable range.

Abstract: A computer-based method and system brings together data from two business domains: real-time actual plant status operation data and predictive process simulation data based upon a design specification. This method and system correlates the plant data and the simulation data, and displays the results side-by-side for the user. The results assist the user, to determine whether the plant is operating properly, and to make further improvements to both the plant assets and to the simulation models. The invention assists with monitoring, maintaining, trouble shooting, and problem solving of plant operation. The invention facilitates a progressive visual collaborative environment between plant operation and process engineering teams, where engineers from respective domains may socialize and trouble shoot problems.

Abstract: In-context compatibility of one or more services or application instances running as services with currently active work is monitored. Respective context-sensitive icons indicate contextual compatibility and availability of corresponding services. The context-sensitive icon is displayed in a graphical user interface of a web application. Availability of one or more services or application instances running as services is indicated in the graphical user interface using different states of the context-sensitive icon. A user may select the icon corresponding to an available and compatible service to be applied to the currently active work in the web application. A single user gesture type command releases the corresponding service.

Abstract: A method, apparatus, and computer program product for increasing closed-loop stability in a MPC controller controlling a process where there are significant uncertainties in the model used by the controller. This invention focuses on the improvement of the robustness of the steady-state target calculation. This is achieved through the use of a user defined robustness factor, which is then used to calculate an economic objective function giveaway tolerance and controlled variable constraint violation tolerance. The calculation engine uses these tolerances to find a solution that minimize the target changes between control cycles and prevent weak direction moves caused by near collinearity in the model. If the controller continues to exhibit large variations in the process, it can slow down the manipulated variable movement to stabilize the process.

Abstract: A computer-based apparatus and method for automated data screening and selection in model identification and model adaptation in multivariable process control is disclosed. Data sample status information, PID control loop associations and internally built MISO (Multi-input, Single-output) predictive models are employed to automatically screen individual time-series of data, and based on various criteria bad data is automatically identified and marked for removal. The resulting plant step test/operational data is also repaired by interpolated replacement values substituted for certain removed bad data that satisfy some conditions. Computer implemented data point interconnection and adjustment techniques are provided to guarantee smooth/continuous replacement values.

Abstract: A product output rate for a packed column is optimized by setting a desired product output rate from the distillation column, calculating a fraction of flood point of the distillation column at a reflux ratio, and determining a pressure drop value within the distillation column at the fraction of flood point. The step of determining the pressure drop employs the method of producing a plot of pressure drop as a function of fraction of flood point at any liquid flow rate, or producing a mathematical expression thereof.

Abstract: A computer modeling apparatus includes an input module enabling user specification of a subject facility design based on limited data. The subject facility design includes design alternatives, and a processor routine coupled to the input module and responsive to the user specification by forming an input data set to a rigorous simulation modeler to model the subject facility design. The rigorous simulation modeler requires input beyond the limited data. The processor routine enables execution of the simulation modeler. The computer modeling apparatus further includes an interface member that enables the production of a rigorous simulation model of the subject facility design from the simulation modeler. The subject facility is one of an oil processing facility, a gas processing facility, an oil and gas separation facility, or a chemical processing facility.

Abstract: A system and method of model predictive control executes a model predictive control (MPC) controller of a subject dynamic process (e.g., processing plant) in a configuration mode, identification mode and model adaptation mode. Users input and specify model structure information in the configuration mode, including constraints. Using the specified model structure information in the identification mode, the MCP controller generates linear dynamic models of the subject process. The generated linear dynamic models collectively form a working master model. In model adaptation mode, the MPC controller uses the specified model structure information in a manner that forces control actions based on the formed working master model to closely match real-world behavior of the subject dynamic process. The MPC controller coordinates execution in identification mode and in model adaptation mode to provide adaptive modeling and preserve structural information of the model during a model update.

Abstract: A computer-based method and system brings together data from two business domains: real-time actual plant status operation data and predictive process simulation data based upon a design specification. This method and system correlates the plant data and the simulation data, and displays the results side-by-side for the user. The results assist the user, to determine whether the plant is operating properly, and to make further improvements to both the plant assets and to the simulation models. The invention assists with monitoring, maintaining, trouble shooting, and problem solving of plant operation. The invention facilitates a progressive visual collaborative environment between plant operation and process engineering teams, where engineers from respective domains may socialize and trouble shoot problems.

Abstract: Method of conducting chromatography comprising controlling a retention time of one or more chemical species in a mixture by determining at least one conceptual segment of: a) the one or more chemical species, b) a mobile phase component, and c) a stationary phase component. The method further includes defining an identity and an equivalent number of each of the at least one conceptual segment.

Abstract: An extension of COSMO-SAC to electrolytes (eCOSMO-SAC) combines the COSMO-SAC term for short range molecule-molecule, molecule-ion and ion-ion interactions with the extended symmetric Pitzer-Debye-Hückel term for long range ion-ion interactions. The extension recognizes that like-ion repulsion and local electroneutrality govern the surface segment contacts, and introduces a dual sigma profile concept for electrolyte systems. The eCOSMO-SAC formulation predicts activity coefficients of several representative electrolyte systems.

Abstract: Apparatuses and methods for model quality estimation and model adaptation in multivariable process control are disclosed. A method for updating a multiple input multiple output (MIMO) dynamical model of a process includes perturbing the process, auditing the controller model, identifying poor performing submodels and re-testing the relevant process variables, re-identifying submodels and adapting the model online while the process continues to operate within normal operating parameters. An apparatus comprises an online multivariable controller, a tester, a database to store data corresponding to manipulated variables and controlled variables, and a performance diagnosis module configured to identify problematic submodels and adapt a model used by the controller.

Abstract: A product output rate for a packed column is optimized by setting a desired product output rate from the distillation column, calculating a fraction of flood point of the distillation column at a reflux ratio, and determining a pressure drop value within the distillation column at the fraction of flood point. The step of determining the pressure drop employs the method of producing a plot of pressure drop as a function of fraction of flood point at any liquid flow rate, or producing a mathematical expression thereof.

Abstract: A computer-based apparatus and method for automated data screening and selection in model identification and model adaptation in multivariable process control is disclosed. Data sample status information, PID control loop associations and internally built MISO (Multi-input, Single-output) predictive models are employed to automatically screen individual time-series of data, and based on various criteria bad data is automatically identified and marked for removal. The resulting plant step test/operational data is also repaired by interpolated replacement values substituted for certain removed bad data that satisfy some conditions. Computer implemented data point interconnection and adjustment techniques are provided to guarantee smooth/continuous replacement values.

Abstract: Methods of conducting industrial manufacture, research or development. The method comprise computer-implemented steps of modeling at least one physical property of a mixture of at least two chemical species by determining at least one conceptual segment for each of the chemical species. The steps of determining at least one conceptual segment for each of the chemical species include defining an identity and an equivalent number of each conceptual segment.

Abstract: A computer-implemented method and system of modeling physical properties of biodiesel feedstock are presented. The invention method and system include (i) estimating values of a physical property of constituent fatty acid fragments of a mono-, di-, or triglyceride, and (ii) computing a value of the physical property of the mono-, di-, or triglyceride by expressing the value of the physical property of the mono-, di-, or triglyceride as a sum of the estimated values of the physical property of constituent fatty acid fragments thereof. The method and system further include repeating steps (i) and (ii) for different mono-, di-, and/or triglycerides, resulting in a plurality of computed values of the physical property of different mono-, di-, and triglycerides. The determined value of the subject physical property enables blending of the biodiesel feedstock in production of biodiesel.

Abstract: An integrated multivariable predictive controller (MPC) and tester is disclosed. The invention system provides optimal control and step testing of a multivariable dynamic process using a small amplitude step for model identification purposes, without moving too far from optimal control targets. A tunable parameter specifies the trade-off between optimal process operation and minimum movement of process variables, establishing a middle ground between running a MPC on the Minimum Cost setting and the Minimum Move setting. Exploiting this middle ground, embodiments carry out low amplitude step testing near the optimal steady state solution, such that the data is suitable for modeling purposes. The new system decides when the MPC should run in optimization mode and when it can run in constrained step testing mode. The invention system determines when and how big the superimposed step testing signals can be, such that the temporary optimization give-away is constrained to an acceptable range.