Models in Aspen Plus for loading and unloading compressed hydrogen tube trailers and compressed hydrogen ships

The continuous increase in greenhouse gas emissions and the strengthening of environmental regulations have brought Carbon Capture, Utilization, and Storage (CCUS) technology into focus. Most liquefied carbon dioxide carriers (LCO2Cs) employ liquefied natural gas (LNG) propulsion, but they still emit significant greenhouse gases, highlighting the need for further reduction. While boil-off gas (BOG) handling is essential for long-distance LCO2C operations, no studies have examined onboard carbon capture systems (OCCS) integrated with BOG handling systems. This study evaluates five operational cases—BOG re-liquefaction (RLIQ), OCCS, purge gas recapture, and their combinations—to assess the greenhouse gas reduction and economic feasibility of LCO2Cs. Although standalone RLIQ and OCCS showed similar reduction rates (29% and 30%), the avoidance cost of OCCS alone was more than two times higher. Integrating BOG RLIQ, OCCS, and purge recirculation achieved up to 69% well-to-wake emission redu... [more]

This is the source code written in MATLAB for the stochastic, agent-based model for naive CD8+ T cell recirculation dynamics in mice. The model simulates the migration of naive CD8+ T cells between the blood and major lymphoid tissues in the body for 47 hours post i.v. transfer. It is also capable of predicting the effect of an immunosuppressant drug FTY720 on blocking naive CD8+ T cell egress from lymph nodes.

Contains the Aspen Plus flowsheet files and Python source code for the modelling, simulation, and optimization of a process which converts captured CO2 and electricity into ethylene, considering intermittent electricity.

Aspen Plus simulations for the conversion of CO2 into Formaldehyde and related processes.

GAMS models and supporting spreadsheets for Innovative Strategies in Sustainable Formaldehyde Production in Belgium: Integrating Process Optimisation, Carbon Capture, and a comprehensive Environmental Assessment.

This is the OpenLCA Database for Innovative Strategies in Sustainable Formaldehyde Production in Belgium: Integrating Process Optimisation, Carbon Capture, and a comprehensive Environmental Assessment.

This is the MATLAB source code for the SATvac (Stochastic Agent-based T-cell Vaccination) model, a stochastic agent-based framework for simulating CD8+ T cell dynamics following vaccination. This model captures main immune response phases including activation, expansion, and contraction. It also tracks T cell differentiation into effector and memory cell types and explains the variability observed in immune responses by modeling stochasticity at the single cell level.

This submission contains an Aspen Plus V12.1 file (.bkp) and a ProMax V6 file (.pmx) as part of the publication "Design of biocarbon by-product utilization processes for ironmaking and steelmaking". The Aspen Plus file contains a simulation of an autothermal reforming reactor for a bio-oil model using an RGibbs block, as well as heat exchangers and condensers used for determining equipment and utility costs. The ProMax file contains a simulation of a carbon dioxide removal process using an absorber and stripper loop with recycled MDEA solvent.

This is an Aspen Plus V14 model of a furnace process. Natural gas is combusted in excess air to produce heat. A heat exchanger model simulates the boiling of boiler feed water near 29 bar pressure to produce steam at about 235 deg C. Design specs are used to ensure certain process conditions and scales are met. This is supplementary material for the paper Adams TA. Exergy in Chemical Engineering Education, submitted to the ESCAPE 35 conference.

This model uses the CHEMCAD unit operation Batch Column together with tools for data reconciliation and optimization. Some experimental data is included.
It is used as a template in the course Green Processes at Berlin University of Applied Science (BHT), where students use it to regress measured data from lab experiments and to design an optimal process.

This model uses standard CHEMCAD unit operations and thermodynamic models to simulate the separation of ethanol and water from a fermenter broth.
It is used as a template in the course Green Processes at Berlin University of Applied Science (BHT), where students use it to regress measured data from lab experiments and to design an optimal process.

This model uses the kinetic model from Foglers textbook "Elements of Chemical Reaction Engineering" to describe the fermentation of glucose to ethanol.
It is used as a template in the course Green Processes at Berlin University of Applied Science (BHT), where students use it to regress measured data from lab experiments and to design an optimal process.

Herein, the Aspen models to the paper "Chemical recycling of plastic waste via production of ethylene from gasification syngas" are published. The model starts at syngas, as gasification was not modeled in Aspen Plus. Syngas is treated and fed into a methanation reactor. Ethylene is then produced via oxidative coupling of methane. The fractionation involves cryogenic distillation as well as CO2 capture. Latter one was modeled in a separate file.

This is a aspen plus simulation of isopropanol based chemical heat pump. Here the products (mixture of isopropanol, acetone and hydrogen) from endothermic reactor/reboiler gets separated in the distillation column. The top distillate namely acetone and hydrogen go to the exothermic reactor where as the bottom product which is majorly isopropanol goes back to the endothermic reactor. The configuration 1 involves an exothermic reactor, a distillation column, and an endothermic reactor. The configuration 2 involves the reboiler acting as an endothermic reactor. In this case there is no separate endothermic reactor.

Example Aspen Plus chemical process simulations used in the book Exergy Tables: A Comprehensive Set of Exergy Values to Streamline Energy Efficiency Analysis, by Lingyan Deng, Thomas A. Adams II, and Truls Gundersen (McGraw-Hill Education, 2023). The examples are:

1. Medium-pressure steam generation using a natural-gas powered boiler
2. Medium-pressure steam generation using a natural-gas powered boiler with an economizer
3. Medium-pressure steam generation using an off-gas powered boiler
4. Postcombustion CO2 capture using diglycolamine (DGA) with CCS

Note, stream conditions may vary slightly from those in the book when simulated with different versions of the software.

Files are Aspen Plus v12.1, but should be openable on any version 12.1 or later.

SimaPro model used in this work.

Models and codes that were used in this work. Please read the simulation instruction.

These Aspen Plus v12 simulations are the solution or demonstration files for the book Learn Aspen Plus in 24 Hours, 2nd Edition, by Thomas A. Adams II. They are given as-is with no warranty or guarantee of accuracy or correctness. They are for educational purposes only.

The files list contains a large .zip of all files, or otherwise you can download them independently.

Files correspond to these tutorials:

Tutorial 2 Physical Property Modelling - Selecting physical properties. Understanding the database.
Tutorial 3 Problem Solving Tools - Design Specs and Sensitivity Analyses
Tutorial 4 Heat Exchangers - HEATER, HEATX
Tutorial 5 Equilibrium-based Distillation Models - RadFrac (in equilibrium mode)
Tutorial 6 Advanced Problem Solving Tools - Utilities, GHG Emissions, Optimization
Tutorial 7 Chemical Reactor Models - RSTOIC, REQUIL, RYIELD, RGIBBS, RCSTR, RPFR
Tutorial 8 Rate-based Distillation Models - RadFrac (in rate-based mode)
Tutorial 9 Custom Models and External Con... [more]

Several Aspen Plus simulation files are presented which were used in the research paper by Chinedu Okoli and Thomas A. Adams II: "Design and Assessment of Advanced Thermochemical Plants for Second Generation Biobutanol Production Considering Mixed Alcohols Synthesis Kinetics" published in Industrial and Engineering Chemistry Research, vol 56, pp 1543-1558 (2017). Four Aspen Plus V8.4 workbook files are provided AS IS, with no guarantee of accuracy or functionality. They are the original files used in the underlying work and have not been groomed or sanitized.

The four base cases considered in this study are:

1. A "biomass only" process in which the entire plant's energy supply comes from biomass.
2. A "biomass only" process that uses a divided wall column as a part of the distillation sequence
3. A "NG and power import" process in which natural gas and grid electricity are used to provide supplementary power.
4. A "NG import" case in which natural gas (but not grid... [more]

Three Aspen Plus simulation files are presented which were used in the research paper by Chinedu Okoli, Thomas A. Adams II, Boris Brigljevic, and J.J. Liu: "Design and economic analysis of a macroalgae-to-butanol process via a thermochemical route" published in Energy Conversion and Management, vol 123, pp 410-122 (2016). Three Aspen Plus V8 workbook files are provided AS IS, with no guarantee of accuracy or functionality. They are the original files used in the underlying work and have not been groomed or sanitized.

The three files correspond to the three case studies in the paper:

1. A "biomass only" process in which the entire plant's energy supply comes from seaweed.
2. A "NG and power import" process in which natural gas and grid electricity are used to provide supplementary power.
3. A "NG import" case in which natural gas (but not grid electricity) is used to provide supplementary power.

It may be difficult to open the files in later versions of the software.... [more]

This submission contains Aspen Plus files for the design and systems performance analysis of oxy-combustion power plant captured CO2 purification using different techniques.

This is a collection of Aspen Plus v8.8 Simulation Files that were used to conduct the research published in Dalle Ave G, Adams TA II, "Techno-economic comparison of Acetone-Butanol-Ethanol fermentation using various extractants", Energy Conversion and Management, Volume 156, 15 January 2018, Pages 288-300. The LAPSE postprint of this work is available at LAPSE:2018.0132.

Each simulation file contains a flowsheet model of the process to recover acetone, butanol, and ethanol from the ABE fermentation broth for the following case studies:

1. Direct distillation of the ABE Broth
2. Product extraction and purification from ABE Broth using 2-Ethyl-1-Hexanol
3. Product extraction and purification from ABE Broth using Decane
4. Product extraction and purification from ABE Broth using Decanol
5. Product extraction and purification from ABE Broth using Hexanol
6. Product extraction and purification from ABE Broth using Mesitylene
7. Product extraction and purification from ABE... [more]

This is an Aspen Plus v12 model for a Rectisol process used for removing CO2 from a shifted syngas stream arising from steam methane reforming for the purposes of Blue hydrogen production. It is intended for educational use, and is useful as a starting point for those interested in simulating this process. It is not optimized in any way, but it contains a working flowsheet for those interested in modifying it for your own purposes.

The simulation was developed using the simulation strategy given in Adams TA II, Khojestah Salkuyeh Y, Nease J. Processes and Simulations for Solvent-based CO2Capture and Syngas Cleanup. Chapter in: Reactor and process design for in sustainable energy technology. Elsevier (2014). Pages 163-232. ISBN: 978-0-444-59566-9. It is based on the process discussed in Doctor RD, Molburg JC, Thimmapuram PR, Berry GF, Livengood CD. Gasification combined cycle: carbon dioxide recovery, transport, and disposal. US DOE Report, Argonne National Laboratory ANL/ESD-24. 19... [more]

The accompanying model for the paper 'Optimal design and operation of a waste tire feedstock polygeneration system' is presented. The model is written using the GOSSIP software platform and modeling language.