Product Value Modeling for a Natural Gas Liquid to Liquid Transportation Fuel Process

Abstract

Light alkanes from shale resources can potentially be converted to an easy-to-transport liquid hydrocarbon product by catalytic dehydrogenation followed by catalytic oligomerization. The chemical species in the liquid product and their concentrations depend on the process design, operating conditions, and choice of catalyst(s). In order to optimize process design and catalyst selection, it is important to be able to evaluate the economic value of the liquid product stream as a function of design variables and operating conditions. As an initial effort in addressing this challenge, the mixture octane number, a key property in determining the value of a gasoline blend stock, is considered. An approach is outlined for the estimation of the mixture octane number using a functional group contribution method and appropriate mixing rules, and this estimation procedure is interfaced with a microkinetic oligomerization reactor model. This combined microkinetic and octane number modeling approach is demonstrated using two case studies involving ethylene and propylene as feed streams, with product streams characterized in terms of octane number, molecular size distribution, and degree of branching. Results of this type are expected to provide guidance on catalyst development and process optimization.

Novel Strategy To Analyze Fourier Transform Ion Cyclotron Resonance Mass Spectrometry Data of Biomass Pyrolysis Oil for Oligomeric Structure Assignment

“…First, knowledge of molecular structure(s) allows for prediction of physical/chemical properties, thereby allowing for more efficient exploitation of those properties during valorization of the material/product. This type of work is ongoing among energy and fuel researchers and should be a point of emphasis in future studies. ,− Second, proposing routes by which fragmentations can follow to reach a desired final structure sheds light on possible mechanisms underlying biomass pyrolysis. It is shown here that the top peaks among the three samples can vary appreciably, especially with respect to the degree in which they experience fragmentation.…”

Nonlinear Reactor Design Optimization With Embedded Microkinetic Model Information

“…In this work, we use data generated by simulating the MK model in a PBR at high conversion range to reparametrize the ROK models. We divide data from 73 MK simulations into two groups: 1) 64 low pressure simulations at pressure 2.18 atm, temperatures 483-522 K, and space velocities 62 to 740 mol − f eed mol − H +−1 min −1 previously published in Ganesh et al (2020) and 2) nine high pressure simulations at pressures of 10-30 atm, temperatures of 523-573 K, and space velocity of 1123 mol − f eed mol − H +−1 min −1 .…”

Catalytic Conversion of Alkenes on Acidic Zeolites: Automated Generation of Reaction Mechanisms and Lumping Technique

“… Alkylation. The acid-catalyzed alkylation of alkanes with alkenes is crucial in gasoline reformulation processes where light hydrocarbons obtained from catalytic cracking are converted to a complex mixture of branched alkanes, called alkylate, which is used as a blending component to increase gasoline octane number. , Aromatization. The production of aromatics (benzene, toluene, xylenes) from light hydrocarbons is pivotal for the manufacture of fine chemicals and plastics .…”

“…Alkylation. The acid-catalyzed alkylation of alkanes with alkenes is crucial in gasoline reformulation processes where light hydrocarbons obtained from catalytic cracking are converted to a complex mixture of branched alkanes, called alkylate, which is used as a blending component to increase gasoline octane number. , …”