Abstract: Ranking materials for post combustion carbon capture by characterizing sorbent materials with a molecular model workflow that generates microscopic figures of merit for materials by microscopic properties; and evaluating the materials from the molecular model workflow with a process model workflow that generates macroscopic figures of merit for process steps of a carbon recovery process. The materials for applicability as a sorbent material are ranked using a combined microscopic performance and macroscopic process feasibility generator that ranks the materials according to the microscopic figures of merit for materials and the macroscopic figures of merit for the process steps.

Abstract: Provided herein are methods and systems of making a high quality isoparaffinic base stock which include contacting an adsorbent material with a hydrocarbon feedstock and a solvent and separating at least some of the one or more high VI components from the hydrocarbon feedstock to produce a first fraction base stock having a first fraction base stock viscosity index. The adsorbent material is desorbed with a second solvent to produce a second fraction base stock having a second fraction base stock viscosity index. In these methods, the first fraction base stock viscosity index is less than the hydrocarbon feedstock viscosity index and the second fraction base stock viscosity index is greater than the hydrocarbon feedstock viscosity index.

Abstract: A process for separating one or more one-ring cycloparaffins and one or more multi-ring cycloparaffins from a hydrocarbon mixture is disclosed. The process comprises the steps of providing the hydrocarbon mixture; and contacting the hydrocarbon mixture with an adsorbent material comprising a metal organic framework to separate the one or more one-ring cycloparaffins and the one or more multi-ring cycloparaffins from the hydrocarbon mixture. The process is conducted in a liquid phase.

Abstract: This disclosure provides methods for separating multi-ring naphthenes from a hydrocarbon feedstock. The hydrocarbon feedstock includes at least normal paraffins, isoparaffins, 1-ring naphthenes attached with a paraffinic alkyl chain, and multi-ring naphthenes. The methods comprise passing the hydrocarbon feedstock and a solvent, at a temperature and pressure through a bed of an adsorbent comprising a metal-organic framework (MOF) adsorbent, to adsorb the multi-ring naphthenes from the hydrocarbon feedstock, thereby producing a base stock product that is depleted in multi-ring naphthenes. The metal-organic framework adsorbent is a porous crystalline material comprised of metal functionalities connected by organic linkers to form a repeating 2-D or 3-D lattice. The base stock product has a viscosity index (VI) greater than the viscosity index of the hydrocarbon feedstock.

Abstract: The present disclosure provides methods for determining adsorption isotherms for complex mixtures. In at least one embodiment, a method for obtaining adsorption isotherms for liquid mixtures includes providing a column comprising an adsorbent. The method includes delivering a composition to the column, the composition comprising a multi-component feed and a solvent. The method includes collecting a sample from the column and introducing the sample to a two dimensional gas chromatograph to determine a time-series concentration of one or more components of the sample. The method includes integrating the time-series concentration of at least one of the one or more components to determine an isotherm of the at least one component. The method includes obtaining quantitative information of the at least one component, based on the isotherm of the at least one component.

Abstract: A method for separating classes of hydrocarbon compounds from a feed stream including a hydrocarbon mixture is disclosed. The method includes the steps of passing a feed stream through a plurality of separation units arranged in a series in any order, wherein each separation unit has an adsorbent material; and separating classes of hydrocarbon compounds from the feed stream. When one of the plurality of separation units comprises an adsorbent material that is a metal organic framework selected from a zirconium, hafnium, cerium, or titanium-based metal organic framework, then another plurality of separation units includes an adsorption material that is different from the metal organic framework. The method is conducted in a liquid phase. The method can also use a single separation unit with a continuous cyclic bed apparatus. The method can be combined with refining and downstream processes.

Abstract: Provided herein are methods and systems of making a high quality isoparaffinic base stock which include contacting an adsorbent material with a hydrocarbon feedstock and a solvent and separating at least some of the one or more high VI components from the hydrocarbon feedstock to produce a first fraction base stock having a first fraction base stock viscosity index. The adsorbent material is desorbed with a second solvent to produce a second fraction base stock having a second fraction base stock viscosity index. In these methods, the first fraction base stock viscosity index is less than the hydrocarbon feedstock viscosity index and the second fraction base stock viscosity index is greater than the hydrocarbon feedstock viscosity index.

Abstract: Metal-organic framework materials (MOFs) are highly porous entities comprising a multidentate organic ligand coordinated to multiple metal centers. MOFs having ambient condition stability may comprise a plurality of metal clusters comprising one or more M4O clusters (M is a metal), and a plurality of 4-pyrazolecarboxylate ligands coordinated to the plurality of metal clusters to define an at least partially crystalline network structure having a plurality of internal pores. The MOFs may have a Pa3 symmetry, which upon activation may convert into Fm3m symmetry.

Abstract: Metal-organic framework materials (MOFs) are highly porous entities comprising a multidentate organic ligand coordinated to multiple metal centers, typically as a coordination polymer. Some highly porous MOFs lack stability at ambient conditions. MOFs having ambient condition stability may comprise a plurality of metal clusters (M4O clusters, M=a metal), and a plurality of 4-(1H-pyrazol-4-yl)benzoate ligands coordinated to the plurality of metal clusters to define an at least partially crystalline network structure having a plurality of internal pores.

Abstract: A method for separating classes of hydrocarbon compounds from a feed stream including a hydrocarbon mixture is disclosed. The method includes the steps of passing a feed stream through a plurality of separation units arranged in a series in any order, wherein each separation unit has an adsorbent material; and separating classes of hydrocarbon compounds from the feed stream. When one of the plurality of separation units comprises an adsorbent material that is a metal organic framework selected from a zirconium, hafnium, cerium, or titanium-based metal organic framework, then another plurality of separation units includes an adsorption material that is different from the metal organic framework. The method is conducted in a liquid phase. The method can also use a single separation unit with a continuous cyclic bed apparatus. The method can be combined with refining and downstream processes.

Abstract: A process for producing a bimetallic, terephthalate metal organic framework (MOF) having a flexible structure and comprising aluminum and iron cations, comprises contacting a water-soluble aluminum salt, a chelated iron compound and 1,4-benzenedicarboxylic acid or a salt thereof with a fluoride-free mixture of water and a polar organic solvent at a reaction temperature of less than 200° C. to produce a solid reaction product comprising the MOF.

Abstract: Disclosed are methods and apparatuses for separating a wax product from a hydrocarbon feedstream by a) conducting a hydrocarbon feedstream to a membrane separation zone; b) retrieving at least one retentate product stream from the first side of the membrane element; c) retrieving at least one permeate product stream having a wax phase and an oil phase from a second side of the membrane element, wherein a pour point of the wax phase of the permeate product stream is higher than a pour point of the oil phase of permeate product stream; and d) separating a wax product from the wax phase of the permeate product stream.

Abstract: Methods and systems are provided herein utilizing a membrane cascade to separate a hydrocarbon feed into boiling point fractions. Also provided herein are methods for selecting membranes for said cascades to achieve the desired boiling point fraction separation.

Abstract: Methods and apparatuses are provided for producing base stocks by using a separation process that includes: conducting a hydrocarbon feedstream to a membrane separation zone wherein the feedstream contacts a first side of at least one membrane element; retrieving at least one retentate product stream from the first side of the membrane element; retrieving at least one permeate product stream from a second side of the membrane element; and converting at least a portion of the permeate product stream into the base stock. Also provided are base stocks produced by the separation process.

Abstract: Disclosed are methods and apparatuses for separating a wax product from a hydrocarbon feedstream by a) conducting a hydrocarbon feedstream to a membrane separation zone; b) retrieving at least one retentate product stream from the first side of the membrane element; c) retrieving at least one permeate product stream having a wax phase and an oil phase from a second side of the membrane element, wherein a pour point of the wax phase of the permeate product stream is higher than a pour point of the oil phase of permeate product stream; and d) separating a wax product from the wax phase of the permeate product stream.

Abstract: Methods and systems are provided herein utilizing a membrane cascade to separate a hydrocarbon feed into boiling point fractions. Also provided herein are methods for selecting membranes for said cascades to achieve the desired boiling point fraction separation.

Abstract: The present invention provides a method for selecting an improved catalyst composition comprising a crystalline molecular sieve material having a structure and properties whereby the catalyst composition has at least one active catalytic site with a Mono Alkylation Selectivity Factor (MASF) greater than or equal to 0 kcal/mol±0.5 kcal/mol, and optionally further at least one active catalytic site with an Olefin Oligomerization Suppression Factor (OOSF) greater than or equal to 5 kcal/mol±0.5 kcal/mol. Further, there is provided an improved process for conversion of hydrocarbon feedstock in the presence of said selected catalyst composition.

Abstract: The present invention provides a method for selecting an improved catalyst composition comprising a crystalline molecular sieve material having a structure and properties whereby the catalyst composition has at least one active catalytic site with a Mono Alkylation Selectivity Factor (MASF) greater than or equal to 0 kcal/mol±0.5 kcal/mol, and optionally further at least one active catalytic site with an Olefin Oligomerization Suppression Factor (OOSF) greater than or equal to 5 kcal/mol±0.5 kcal/mol. Further, there is provided an improved process for conversion of hydrocarbon feedstock in the presence of said selected catalyst composition.

Abstract: This disclosure relates to a molecular sieve comprising a framework of tetrahedral atoms bridged by oxygen atoms, the tetrahedral atom framework being defined by a unit cell with atomic coordinates in nanometers shown in Table 3.