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think simulation | getting the chemistry right

May 14, 2020

Diana showed how to set up a cooling tower simulation using OLI Flowsheet: ESP. She will explore different factors that can have an impact on the efficiency of the cooling process: (1) Quality of the feed water, (2) Quality of the make-up water, and (3) amount of blowdown. She will also show the effect of acid treatment adding HCl to the recirculating water to reduce scaling buildup. Corrosion rate calculations on different construction materials using the recirculating water chemistry will be also shown. 

April 09, 2020

This spotlight seminar covers advanced approaches to simulating autoclave experiments.  When the Autoclave simulation tool was created in 2015, calculations performed by the clients were simple.  They were based on charging a sealed autoclave with gas at ambient conditions and raising the temperature to test conditions.  The total and pressures and partial pressures were then computed.

February 13, 2020

In this session Diana will describe how to create real-solution Pourbaix diagrams (or Potential vs pH diagrams) using OLI Studio. These real-solution Pourbaix diagrams generated with OLI software account for the activity coefficients of species in solution. Additionally, the OLI Pourbaix diagrams can be generated at different temperatures and pressures. These considerations create a more predictive diagram.


Diana will present two different systems: (1) The Au-CN-H2O system to understand the gold cyanidation process for gold extraction, and (2) the effects of temperature and H2S concentration on the Fe-H2S-H2O system

November 21, 2019

During this spotlight, we will look at the new features available in OLI Flowsheet: ESP V10 and how they can be implemented to model a desalination process. In the example case study, the simulation of a desalination plant located in Egypt will be considered with the goal of producing potable water with a TDS (total dissolved solids) less than 100 ppm reduced from a brackish feed water of over 10,000 ppm TDS. We will explore the advanced OLI Flowsheet ESP capabilities which help facilitate this process simulation study like Ionic water analysis input, TDS calculations etc.

October 10, 2019

We will present in this Spotlight some of the key advancements in chemistry, user interface (UI), and applications that will be part of the new V10 software.  The chemistry advancements include database expansion in rare earth, organic complexes, natural organic matter, dense phase CO2, and also, some new corrosion-resistant alloys.  The UI advancements include faster runtimes, default units setup, updated reports, and faster screen refresh. The application advances include expanded capabilities in RO, feedback controller, splitter, and multi-stage column blocks  We will have a brief presentation of these and other advancements, and provide extra time for Q&A.

September 12, 2019

This month’s spotlight is on the processing of Rare Earth Elements (REE) using solvent extraction. REE’s are found in trace amounts in many phosphoric acid ores. These trace elements can be removed and concentrated to useful quantities using solvent extraction. The spotlight will focus on Europium and Yttrium extraction using Tri-n-butylphosphate.

August 08, 2019

In this Spotlight Seminar, Dr. Diana Miller demonstrated how to calculate scaling profiles in CO2 and/or H2S-rich production fluids. Conditions at both separator and reservoir will be shown. You will see how new property data and the MSE-SRK framework improve the OLI Studio: ScaleChem model predictions by combining the accurate prediction of VLE (CO2 and H2S partitioning in oil, gas and water phases) with scaling prediction for solids in the upstream UHPHT operating conditions.  This enhanced analysis is very important in the oil and gas industry as the accurate prediction of carbonate and sulfide scales is vital to delivering high operational efficiency and asset integrity

July 11, 2019

Phosphorus is fundamental to all living things. It is essential for food production and is one of three nutrients (nitrogen, potassium, phosphorus) in commercial fertilizer. In this spotlight, we focused on how OLI Flowsheet and process simulation skills can be utilized to make phosphatic clay (currently a waste material) into a feed material for H3PO4 production.

June 06, 2019

In 1961 President Kennedy said “No water resources program [speaking of a DOW-Freeport desalination plant] is of greater long-range importance than our efforts to convert water from the world’s greatest and cheapest natural resources – our oceans – into water fit for homes and industry. Such a break-through would end bitter struggles between neighbors, states, and nations.” This statement is still true more than 50 years later with more than 40 % of the world’s population suffering from water shortages. This percentage expected to increase to more than 60% in the next 10 years.

This spotlight Jim illustrated a typical desalination plant using both multistage flash unit operations and reverse osmosis unit operations. OLI Software can provide insights and value to many places in the plant.  This spotlight will also illustrate some of the problems with desalination.

April 30, 2019

AJ will be presenting the use of OLI Flowsheet: ESP to simulate a warm lime softening design​. Water treatment operations like lime softening is a viable application in Flowsheet ESP. The software tool contains the chemistry and unit operations needed to simulate this and other treatment processes effectively.  In addition to the standard acid-base, precipitation reactions typical of this operation, chemical mechanisms can be expanded to include adsorption on metal oxides, ion exchange, and reverse osmosis

April 04, 2019

In this spotlight, Diana demonstrates how to analyze corrosion rates and polarization curves using the OLI Corrosion Analyzer tool. Specifically, corrosion rates of carbon steel in aerated systems will be studied as a function of pH, flow velocity and in the presence of selected inorganic inhibitors. Simulations such as these provide an overall understanding of how different operating variables can have a significant impact on the lifetime of equipment and assets.

March 07, 2019

HF Alkylation units are critical for refineries because of the alkylate production. Alkylate is important in creating clean burning fuel. HF Alkylation units are susceptible to corrosion issues because of its complicated and difficult to model ionic chemistry. OLI is well versed with the ionic modeling approach for refinery corrosion units and in this presentation Rasika Nimkar demonstrated the basics of HF-H2O system ionic modeling and OLI’s rigorous approach to identify and alleviate the causes of corrosion

February 07, 2019

Jim discussed the chemistry behind alkanolamine gas sweetening as well as the affects of thermal degradation of the amines and the impact on the gas sweetening process

January 08, 2019

Mercury is a target element for removal from coal-derived flue gases due to its neurotoxic properties.  Mercury in elemental and vapor form is difficult to remove and requires additional chemical additives like oxidants and oxidation catalysts.  A.J. presented a flue-gas desulfurization operation and focused on the form of mercury in the unit, and how chemical additives may impact overall mercury removal

December 13, 2018

Lithium (Li), an exceptional cathode material used in rechargeable batteries, is an essential element in modern energy production and storage devices. Extraction of lithium by processing minerals, brine, or sea water produces technical-grade Li2CO3. To upgrade the purity to electrochemical grade, there are several purification processes. Diana will show the carbonation process, during which the technical-grade Li2CO3 is subjected to carbonation with gaseous CO2 at elevated temperature and pressure to solubilize the lithium as LiHCO3. LiHCO3 is then heated at 90 ⁰C to precipitate lithium as Li2CO3 with 99.95% purity. The released CO2 is recycled for reuse

November 15, 2018

Rasika used OLI's RO membrane in Flowsheet: ESP and compare the simulation with a real-world application. In this case, we are simulating a desalination plant located in the middle-east and built to World Health Organization standard. 

October 18, 2018

Elemental mercury is a contaminant in many gas and crude wells. Mercury is both a separate phase and is soluble in hydrocarbons an in water and thus can cause corrosion and embrittlement of pipes and welds. Mercury sulfide can also cause fouling and equipment failures. Understanding the chemistry of mercury in hydrocarbons is the first step in its removal and treatment. This presentation will discuss the thermodynamics of mercury in hydrocarbons. In addition, case examples will show how mercury can be simulated in process equipment

September 20, 2018

Diana Miller presents a complete laboratory reproduction, of the corrosion phenomena occurring in equipment, can be predicted using an autoclave with accurately simulated water and gas compositions and real temperature and pressure conditions. Diana will explore the performance of corrosion resistant alloys using autoclaves simulated by Flowsheet ESP, which can be used as initial predictors for the conditions needed to feed real autoclave experiments.

August 23, 2018

Several elements of OLI technology; acid-base chemistry, minerals, autoclaves, and flowsheet simulation, come together when modeling a nickel ore digestion process. This Spotlight episode will explore several key factors that govern the nickel digestion process and product purity, from ore digestion to insoluble solids washing

August 09, 2018

This week's session, Rasika explored corrosion in refining overheads as a common problem caused by neutralizing amines. Learn how OLI software can calculate safe operating temperatures, by identifying the water dew point, the amine salt point and an ionic dew point for systems involving neutralizing amines

July 26, 2018

Jim explores Struvite + phosphate application using struvite as a method to recover phosphate from waste water. Phosphate ores are becoming scarce in the many parts of the world and fertilizers which rely on phosphate are also becoming scarce. Wastewater, especially from municipal systems, contain high levels of nitrogen and phosphate which are the effluents from bio-treatment ponds.  This waste water can be reclaimed to produce struvite for fertilizer production.

July 12, 2018

AJ shows a critical method for removing toxins from water is to adsorb them onto oxide surfaces of iron, aluminum and manganese.  We will explore this surface adsorption mechanism in OLI, and compute the competitive adsorption of arsenate, selenite, selenite, and other materials into these surfaces.  We will also quantify the impact of solution chemistry and pH on removal efficiency

June 28, 2018

Diana shows how to use the OLI Studio: Corrosion Analyzer to predict general and localized corrosion in commercial alloys exposed to various produced water environments, and how you can use OLI to help select the most appropriate material for your application.

June 14, 2018

AJ explores the different OLI thermodynamic frameworks, the strengths and limits of each, and give tips for how to investigate and select which framework will work best for your particular application. 

May 17, 2018

This seminar explores the chemical challenge to isolate lithium from a brine of various cations and anions using a number of separation options. At the same time, we work on a separation scheme that also separates boron and potassium at ample purities from the same mixture.

April 26, 2018

CO2 in calcite is the chemistry that explores this seminar topic, of how to investigate case results when the solubility (or another parameter) shows a trend opposite to what you would expect.

April 12, 2018

This seminar features a few different methods for removing metals from water including chemical precipitation, surface complexation, ion exchange and evaporation.

March 29, 2018

Using the OLI Studio: Stream Analyzer, this seminar shows how to set up a CO2 titration using HCL and NaOH as titrants. Discussion includes how to let the software control your titration curve by specifying the desired pH of the system.

March 15, 2018

When there is water vapor in a gas line, the resulting condensate can be highly corrosive. Learn how to calculate when this phenomenon will occur.

March 01, 2018

A case study showing that rule-of-thumb estimates for pH are unreliable when applied to electrolyte chemistry.

February 15, 2018

Details of how and when to account for head space or open air in your vessel or tank, taking both volume & humidity into account.

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