Activity-based models to predict kinetics of levulinic acid esterification

Salt effects on the solubility of aromatic and dicarboxylic amino acids in water

Simultaneous Predictions of Chemical and Phase Equilibria in Systems with an Esterification Reaction Using PC-SAFT

Predicting PC-SAFT pure-component parameters by machine learning using a molecular fingerprint as key input

Reaction enthalpies for the hydrogenation of alkyl levulinates and levulinic acid on Ru/C– influence of experimental conditions and alkyl chain length

Aromatic volatile organic compounds absorption with phenyl-based deep eutectic solvents: A molecular thermodynamics and dynamics study

Membrane-Based Solvent Exchange Process for Purification of API Crystal Suspensions

Predicting CO2 solubility in aqueous and organic electrolyte solutions with ePC-SAFT advanced

Water Sorption in Rubbery and Glassy Polymers, Nifedipine, and Their ASDs

Biocatalyst and continuous microfluidic reactor for an intensified production of n-butyl levulinate: Kinetic model assessment

Hydroxylpropyl-β-cyclodextrin as Potential Excipient to Prevent Stress-Induced Aggregation in Liquid Protein Formulations

Influence of process temperature and residence time on the manufacturing of amorphous solid dispersions in hot melt extrusion

Simplified choice of suitable excipients within biologics formulation design using protein-protein interaction- and water activity-maps

Unraveling the influence of dissolved gases on permeate flux in organic solvent nanofiltration – Experimental analysis

Solvent effect investigation on the acid-catalyzed esterification of levulinic acid by ethanol aided by a Linear Solvation Energy Relationship

Influence of Temperature and Concentration on the Self-Assembly of Nonionic CiEj Surfactants: A Light Scattering Study

Solubilization of Aldehydes and Amines in Aqueous CiEj Surfactant Aggregates: Solubilization Capacity and Aggregate Properties

Assessing the Influence of Betaine-Based Natural Deep Eutectic Systems on Horseradish Peroxidase

Make or break: the thermodynamic equilibrium of polyphosphate kinase-catalysed reactions

Calculation of Multiphase Equilibria Containing Mixed Solvents and Mixed Electrolytes: General Formulation and Case Studies

Prediction of pH in multiphase multicomponent systems with ePC-SAFT advanced

Monitoring and investigating reactive extraction of (di–)carboxylic acids using online FTIR – Part I: Characterization of the complex formed between itaconic acid and tri-n-octylamine

Monitoring and investigating reactive extraction of (di–)carboxylic acids using online FTIR – Part II: Reaction equilibria, reaction kinetics and competition within the complex formation between itaconic acid and several amine extractants

Long-term stable bioprocess-derived Pickering-type emulsions: Identification of key parameters for emulsion stability based on cell interaction at interface

Theoretical modeling and prediction of biorelevant solubility of poorly soluble pharmaceuticals

Performance improvements in Stirling cycle machines by a modified appendix gap geometry

Kinetic model assessment for the synthesis of γ-valerolactone from n-butyl levulinate and levulinic acid hydrogenation over the synergy effect of dual catalysts Ru/C and Amberlite IR-120

Osmolyte effect on enzymatic stability and reaction equilibrium of formate dehydrogenase

The Shelf Life of ASDs: 1. Measuring the Crystallization Kinetics at Humid Conditions

Factors Influencing the Crystallization-Onset Time of Metastable ASDs

Predicting Solvent Effects on Homogeneity and Kinetics of the Hydroaminomethylation: A Thermodynamic Approach Using PC-SAFT

Interfacial Properties of Deep Eutectic Solvents by Density Gradient Theory

Solubility of Electrolytes in Organic Solvents: Solvent-Specific Effects and Ion-Specific Effects

Influence of solvent and salt on kinetics and equilibrium of esterification reactions

Anomalous Water-Sorption Kinetics in ASDs

Predicting the Water Sorption in ASDs

Water Sorption in Glassy Polyvinylpyrrolidone-Based Polymers

Measuring and Modeling Water Sorption in Amorphous Indomethacin and Ritonavir

Strategy for Fast Decision on Material System Suitability for Continuous Crystallization Inside a Slug Flow Crystallizer

Explaining the Release Mechanism of Ritonavir/PVPVA Amorphous Solid Dispersions

Solvent Selection for the Extraction of 2-Phenylethanol from Aqueous Phases: Density and Viscosity Studies

Modeling interfacial properties of ionic liquids with ePC-SAFT combined with density gradient theory

Insights into influence mechanism of polymeric excipients on dissolution of drug formulations: A molecular interaction-based theoretical model analysis and prediction

The melting properties of D-α-glucose, D-β-fructose, D-sucrose, D-α-galactose, and D-α-xylose and their solubility in water: A revision

New thermodynamic activity-based approach allows predicting the feasibility of glycolysis

Melting Properties of Peptides and Their Solubility in Water. Part 2: Di- and Tripeptides Based on Glycine, Alanine, Leucine, Proline, and Serine

Modeling solubility of amino acids and peptides in water and in water+2-propanol mixtures: PC-SAFT vs. gE models

Measurement and modelling solubility of amino acids and peptides in aqueous 2-propanol solutions

Predicting process design spaces for spray drying amorphous solid dispersions

Solvent mixtures in pharmaceutical development: Maximizing the API solubility and avoiding phase separation

Solvent influence on the phase behavior and glass transition of Amorphous Solid Dispersions

Impact of deep eutectic solvents and their constituents on the aqueous solubility of phloroglucinol dihydrate

Intensifying aqueous two-phase extraction by adding decisive excipients for enhancement of stability and solubility of biomolecules

Purification of chimeric amine dehydrogenase using a tailor-made aqueous two-phase system - A case study

Boosting the Kinetic Efficiency of Formate Dehydrogenase by Combining the Effects of Temperature, High Pressure and Co-solvent Mixtures

Predicting Vapor–Liquid Equilibria for Sour-Gas Absorption in Aqueous Mixtures of Chemical and Physical Solvents or Ionic Liquids with ePC-SAFT

Extremely Low Vapor-Pressure Data as Access to PC-SAFT Parameter Estimation for Ionic Liquids and Modeling of Precursor Solubility in Ionic Liquids

ePC-SAFT advanced – Part II: Application to Salt Solubility in Ionic and Organic Solvents and the Impact of Ion Pairing

ePC-SAFT advanced - Part I: Physical meaning of including a concentration-dependent dielectric constant in the born term and in the Debye-Hückel theory

Prediction of salting-out in liquid-liquid two-phase systems with ePC-SAFT: Effect of the Born term and of a concentration-dependent dielectric constant

Solubility of DNP-amino acids and their partitioning in biodegradable ATPS: Experimental and ePC-SAFT modeling

PC-SAFT Modeling of Phase Equilibria Relevant for Lipid-Based Drug Delivery Systems

Predicting the API partitioning between lipid-based drug delivery systems and water

Appendix gap losses in Stirling engines – review of recent findings

Stability of Pharmaceutical Co-Crystals at Humid Conditions Can Be Predicted

Combining crystalline and polymeric excipients in API solid dispersions – Opportunity or risk?

Co-Crystal Screening by Vapor Sorption of Organic Solvents

Predicting Deliquescence Relative Humidities of Crystals and Crystal Mixtures

Phase Equilibria for the Hydroaminomethylation of 1-Decene

Thermodynamic Properties of Biogenic Amines and Their Solutions

Solvent Selection in Homogeneous Catalysis—Optimization of Kinetics and Reaction Performance

Generation of compressed air by cascaded thermocompressors – project status

From volatility to solubility: Thermodynamics of imidazolium-based ionic liquids containing chloride and bromide anions

Determination of Inherent Dissolution Performance of Drug Substances

Generalized Diffusion–Relaxation Model for Solvent Sorption in Polymers

Adaptive laboratory evolution accelerated glutarate production by Corynebacterium glutamicum

Phase behavior of ASDs based on hydroxypropyl cellulose

Measurement and PC-SAFT Modeling of the Solubility of Gallic Acid in Aqueous Mixtures of Deep Eutectic Solvents

Tetrahydrothiophene-Based Ionic Liquids: Synthesis and Thermodynamic Characterizations

Methodology Based on the Theory of Information to Describe the Representation Ability of the DMC + Alkane Behavior

Unravelling the nature of citric acid:l-arginine:water mixtures: the bifunctional role of water

Swelling and Diffusion in Polymerized Ionic Liquids-Based Hydrogels

Production of polylactic acid aerogels via phase separation and supercritical CO2 drying: thermodynamic analysis of the gelation and drying process

High-pressure-mediated thiourea-organocatalyzed Michael addition to (hetero)aromatic nitroolefins: Prediction of reaction parameters by PCP-SAFT modelling

Standard Gibbs energy of metabolic reactions: VI. Glyceraldehyde 3-phosphate dehydrogenase reaction

Standard Gibbs energy of metabolic reactions: V. Enolase reaction

Standard Gibbs energy of metabolic reactions: IV. Triosephosphate isomerase reaction

Melting properties of amino acids and their solubility in water

The interplay of dissolution, solution crystallization and solid-state transformation of amorphous indomethacin in aqueous solution

Thermodynamic modeling the solvent-impact on phase separation of amorphous solid dispersions during drying

Phase behavior of pharmaceutically relevant polymer/solvent mixtures

Solvent effect on the kinetics of the hydrogenation of n-butyl levulinate to γ-valerolactone

The influence of polymeric excipients on desupersaturation profiles of active pharmaceutical ingredients. 1: Polyethylene glycol

Modeling of Interfacial Tensions of Long-Chain Molecules and Related Mixtures using PC SAFT and the Density Gradient Theory

Rapid identification of tailor-made aqueous two-phase systems for the extractive purification of high-value biomolecules

Influence of Sodium Chloride and Lithium Bromide on the Phase Behavior of a Citrate–Polyethylene Glycol 2000 Aqueous Two-Phase System

Predicting protein-protein interactions using the ePC-SAFT equation-of-state

5-Hydroxymethylfurfural Synthesis in Nonaqueous Two-Phase Systems (NTPS)–PC-SAFT Predictions and Validation

The Role of Molecular Interactions on Michaelis Constants of α-Chymotrypsin Catalyzed Peptide Hydrolyses

Odd–even effect for efficient bioreactions of chiral alcohols and boosted stability of the enzyme

Partitioning of water-soluble vitamins in biodegradable aqueous two-phase systems: Electrolyte perturbed-chain statistical associating fluid theory predictions and experimental validation

Thermodynamics and Kinetics of Glycolytic Reactions. Part I: Kinetic Modeling Based on Irreversible Thermodynamics and Validation by Calorimetry

Thermodynamics and Kinetics of Glycolytic Reactions. Part II: Influence of Cytosolic Conditions on Thermodynamic State Variables and Kinetic Parameters

Influence of cytosolic conditions on the reaction equilibrium and the reaction enthalpy of the enolase reaction accessed by calorimetry and van ‘t HOFF

Application of Irreversible Thermodynamics to Determine the Influence of Cell Mimicking Conditions on the Kinetics of Equilibrium Reactions of the Glycolysis

Theoretically and experimentally founded simulation of the appendix gap in regenerative machines

Promising Thiolanium Ionic Liquid for Extraction of Aromatics from Aliphatics: Experiments and Modeling

In-Silico Screening of Lipid-Based Drug Delivery Systems

Solubility of Pharmaceutical Ingredients in Natural Edible Oils

Paving the way to solubility through volatility: Thermodynamics of imidazolium-based ionic liquids of the type [CnC1Im][I]

Hydrate formation in polymer-based pharmaceutical formulations

Correctly Measuring and Predicting Solubilities of Solvates, Hydrates, and Polymorphs

Special Issue Honoring Hans Hasse

Special Issue Celebrating 30 Years of SAFT

Viscosity of ASDs at humid conditions

Vapor Pressure Assessment of Sulfolane-Based Eutectic Solvents: Experimental, PC-SAFT, and Molecular Dynamics

Analytical model for an overdriven free-displacer thermocompressor

Modeling the CO2 Solubility in Aqueous Electrolyte Solutions Using ePC-SAFT

Thermodynamic gE Models and Equations of State for Electrolytes in a Water-Poor Medium: A Review

Application of PC-SAFT and DGT for the Prediction of Self-Assembly

Modeling thermodynamic derivative properties and gas solubility of ionic liquids with ePC-SAFT

Melting properties of peptides and their solubility in water. Part 1: dipeptides based on glycine or alanine

Determination of the Total Vapor Pressure of Hydrophobic Deep Eutectic Solvents: Experiments and Perturbed-Chain Statistical Associating Fluid Theory Modeling

110th Anniversary: Distribution Coefficients of Furfural and 5-Hydroxymethylfurfural in Hydrophobic Deep Eutectic Solvent + Water Systems: Experiments and Perturbed-Chain Statistical Associating Fluid Theory Predictions

Thermodynamic properties of hydrophobic deep eutectic solvents and solubility of water and HMF in them: Measurements and PC-SAFT modeling

Catalytic Low-Temperature Dehydration of Fructose to 5-Hydroxymethylfurfural Using Acidic Deep Eutectic Solvents and Polyoxometalate Catalysts

Analytical Evaluation of Appendix Gap Losses in Stirling Cryocoolers

Guanidinium Cation Effect on the Water Activity of Ternary (S)Aminopentanedioic Acid Sodium Salt Solutions at 298.15 and 310.15 K

Thermodynamic Properties of Systems Comprising Esters: Experimental Data and Modeling with PC-SAFT and SAFT-γ Mie

Protein-protein interactions and water activity coefficients can be used to aid a first excipient choice in protein formulations

Second osmotic virial coefficients of therapeutic proteins in the presence of excipient-mixtures can be predicted to aid an efficient formulation design

Density variations of TMAO solutions in the kilobar range: Experiments, PC-SAFT predictions, and molecular dynamics simulations

Combined co-solvent and pressure effect on kinetics of a peptide hydrolysis: an activity-based approach

Incorporating a concentration-dependent dielectric constant into ePC-SAFT. An application to binary mixtures containing ionic liquids

Thermodynamic properties of aqueous osmolyte solutions at high-pressure conditions

Density variations of TMAO solutions in the kilobar range: Experiments, PCSAFT predictions, and molecular dynamics simulations

Measurement and Prediction of Excess Properties of Binary Mixtures Methyl Decanoate + an Even-Numbered n-Alkane (C6-C16) at 298.15 K

Aggregation control of Ru and Ir nanoparticles by tunable aryl alkyl imidazolium ionic liquids

Correction to “Toward Thermodynamic Predictions of Aqueous Vitamin Solubility: An Activity Coefficient-Based Approach”

Toward Thermodynamic Predictions of Aqueous Vitamin Solubility: An Activity Coefficient-Based Approach

Solubility Enhancement of Vitamins in Water in the Presence of Covitamins: Measurements and ePC-SAFT Predictions

Experimental Investigation of Displacer Seal Geometry Effects in Stirling Cycle Machines

Solubility of pharmaceutical ingredients in triglycerides

Thermophysical properties of glyceline–water mixtures investigated by molecular modelling

Auxiliary Heating, Cooling and Power Generation in Vehicles Based on Stirling Engine Technology

Thermodynamic Approach for Co-crystal Screening

Highlighting 10 Years of NIST Cooperation and Service to the Thermophysical Properties Data Community

Selecting Excipients Forming Therapeutic Deep Eutectic Systems - A Mechanistic Approach

Structure and thermodynamics of aqueous urea solutions from ambient to kilobar pressures: From thermodynamic modeling, experiments, and first principles simulations to an accurate force field description

Measurement and modeling of lactose solubility in aqueous electrolyte solutions

Cosolvent and pressure effects on enzyme-catalysed hydrolysis reactions

Predicting the high concentration co-solvent influence on the reaction equilibria of the ADH-catalyzed reduction of acetophenone

Thermodynamic Activity-Based Solvent Design for Bioreactions

Simultaneous Prediction of Cosolvent Influence on Reaction Equilibrium and Michaelis Constants of Enzyme-Catalyzed Ketone Reductions

Liquid–Liquid Equilibria for Separation of Alcohols from Esters Using Deep Eutectic Solvents Based on Choline Chloride: Experimental Study and Thermodynamic Modeling

New experimental melting properties as access for predicting amino-acid solubility

Modeling Viscosity of Ionic Liquids with Electrolyte Perturbed-Chain Statistical Associating Fluid Theory and Free Volume Theory

Tunable Hydrophobic Eutectic Solvents Based on Terpenes and Monocarboxylic Acids

Heterosegmental Modeling of Long-Chain Molecules and Related Mixtures using PC-SAFT: 1. Polar Compounds

Modeling binary mixtures of n-alkanes and water using PC-SAFT

Renewable platform chemicals: Thermochemical study of levulinic acid esters

Light-scattering data of protein and polymer solutions: A new approach for model validation and parameter estimation

Thermodynamic prediction of the solvent effect on a transesterification reaction

Measuring and modeling thermodynamic properties of aqueous lysozyme and BSA solutions

Effect of different organic salts on amino acids partition behaviour in PEG-salt ATPS

Influence of Low-Molecular-Weight Excipients on the Phase Behavior of PVPVA64 Amorphous Solid Dispersions

Physical stability of API/polymer-blend amorphous solid dispersions

Thermodynamic properties of selenoether-functionalized ionic liquids and their use for the synthesis of zinc selenide nanoparticles

Analysis of unsteady gas temperature measurements in the appendix gap of a stirling engine

Oil desulfurization using deep eutectic solvents as sustainable and economical extractants via liquid-liquid extraction: Experimental and PC-SAFT predictions

Mutual Impact of Phase Separation/Crystallization and Water Sorption in Amorphous Solid Dispersions

In-situ determination of crystallization kinetics in ASDs via water sorption experiments

Choosing Appropriate Solvents for ASD Preparation

Investigating phase separation in amorphous solid dispersions via Raman mapping

Solubility predictions of acetanilide derivatives in water: Combining thermochemistry and thermodynamic modeling

Mutual Influence of Furfural and Furancarboxylic Acids on Their Solubility in Aqueous Solutions: Experiments and Perturbed-Chain Statistical Associating Fluid Theory (PC-SAFT) Predictions

Co-solvent effects on reaction rate and reaction equilibrium of an enzymatic peptide hydrolysis

Prediction of CO2 and H2S solubility and enthalpy of absorption in reacting N-methyldiethanolamine /water systems with ePC-SAFT

Prediction and Experimental Validation of Co-Solvent Influence on Michaelis Constants: A Thermodynamic Activity-Based Approach

Standard Gibbs Energy of Metabolic Reactions: III The 3-Phosphoglycerate Kinase Reaction

The Role of Polyfunctionality in the Formation of [Ch]Cl-Carboxylic Acid-Based Deep Eutectic Solvents

Modeling and analysis of dissolution of paracetamol/Eudragit® formulations

PC-SAFT modeling of CO2 solubilities in hydrophobic deep eutectic solvents

Influence of pH Value and Ionic Liquids on the Solubility of l-Alanine and l-Glutamic Acid in Aqueous Solutions at 30 °C

Reaction Equilibrium of the ω-Transamination of (S)-Phenylethylamine: Experiments and ePC-SAFT Modeling

Measuring and Predicting Thermodynamic Limitation of an Alcohol Dehydrogenase Reaction

Influence of Natural Solutes and Ionic Liquids on the Yield of Enzyme-Catalyzed Reactions: Measurements and Predictions

Predicting solvent effects on the 1-dodecene hydroformylation reaction equilibrium

Predicting the Solvent Effect on Esterification Kinetics

Crowders and Cosolvents - Major Contributors to the Cellular Milieu and Efficient Means to Counteract Environmental Stresses

Impact of Polymer Type and Relative Humidity on the Long-Term Physical Stability of Amorphous Solid Dispersions

Long-Term Physical Stability of PVP- and PVPVA-Amorphous Solid Dispersions

Analysis of unsteady gas temperature measurements in the appendix gap of a stirling engine

Numerical model for Stirling cycle machines including a differential simulation of the appendix gap

Integrated process development of a reactive extraction concept for itaconic acid and application to a real fermentation broth

Predicting the Solubility of CO2 in Toluene + Ionic Liquid Mixtures with PC-SAFT

Integrierte Kraft-Wärme-Kälte-Kopplung durch umschaltbare Stirling-Vuilleumier-Hybrid-Maschinen

Measuring and Predicting the Extraction Behavior of Biogenic Formic Acid in Biphasic Aqueous/Organic Reaction Mixtures

Standard Gibbs energy of metabolic reactions: II. Glucose-6-phosphatase reaction and ATP hydrolysis

Thermodynamics of enzyme-catalyzed esterifications: I. Succinic acid esterification with ethanol

Thermodynamics of enzyme-catalyzed esterifications: II. Levulinic acid esterification with short-chain alcohols

Phase Behavior of Binary Mixtures Containing Succinic Acid or Its Esters

Moisture-induced phase separation and recrystallization in amorphous solid dispersions

Amorphous-Amorphous Phase Separation in API/Polymer Formulations

Solubilization of proteins in aqueous two-phase extraction through combinations of phase-formers and displacement agents

Measurement and PC-SAFT modeling of solid-liquid equilibrium of deep eutectic solvents of quaternary ammonium chlorides and carboxylic acids

Characterization and Modeling of the Liquid Phase of Deep Eutectic Solvents Based on Fatty Acids/Alcohols and Choline Chloride

Drug Release Kinetics and Mechanism from PLGA Formulations

Modeling the density of ionic liquids with ePC-SAFT

Thermochemistry of halogenobenzoic acids as an access to PC-SAFT solubility modeling

Benzoic Acid and Chlorobenzoic Acids: Thermodynamic Study of the Pure Compounds and Binary Mixtures With Water

Homogeneously catalyzed hydroamination in a Taylor–Couette reactor using a thermormorphic multicomponent solvent system

Influence of electrolytes on liquid-liquid equilibria of water/1-butanol and on the partitioning of 5-hydroxymethylfurfural in water/1-butanol

Salt influence on MIBK/water liquid–liquid equilibrium: Measuring and modeling with ePC-SAFT and COSMO-RS

Influence of Salts on the Partitioning of 5-Hydroxymethylfurfural in Water/MIBK

Applied catastrophic phase inversion: a continuous non-centrifugal phase separation step in biphasic whole-cell biocatalysis

VOC Sorption in Stretched Cross-Linked Natural Rubber

Thermodynamics of a model biological reaction: A comprehensive combined experimental and theoretical study

Thermodynamics of the alanine aminotransferase reaction

Modeling and prediction of protein solubility using the second osmotic virial coefficient

Non-monotonic course of protein solubility in aqueous polymer-salt solutions can be modeled using the sol-mxDLVO model

Inclusion of mPRISM potential for polymer-induced protein interactions enables modeling of second osmotic virial coefficients in aqueous polymer-salt solutions

Predicting the Solubility of Pharmaceutical Cocrystals in Solvent/Anti-Solvent Mixtures

Predicting the Effect of pH on Stability and Solubility of Polymorphs, Hydrates, and Cocrystals

Predicting the Aqueous Solubility of Pharmaceutical Cocrystals As a Function of pH and Temperature

Polymorphs, Hydrates, Cocrystals, and Cocrystal Hydrates: Thermodynamic Modeling of Theophylline Systems

Preliminary Results of Unsteady Gas Temperature Measurements in the Appendix Gap Section of an Experimental Stirling Engine

Optimization of the Appendix Gap Design in Stirling Engines

New Analytical Model for Appendix Gap Losses in Stirling Cycle Machines

Recovery of cis,cis-Muconic Acid from Organic Phase after Reactive Extraction

Activity coefficients at infinite dilution for different alcohols and ketones in [EMpy][ESO4]: Experimental data and modeling with PC-SAFT

Numerically Efficient Modelling Of Non-Ideal Gases And Their Transport Properties In Stirling Cycle Simulation

Modelling interfacial properties of ionic liquids with ePC-SAFT combined with density gradient theory

PC-SAFT Modeling of CO2 Solubilities in Deep Eutectic Solvents

Standard Gibbs Energy of Metabolic Reactions: I. Hexokinase Reaction

Novel Displacement Agents for Aqueous 2-Phase Extraction Can Be Estimated Based on Hybrid Shortcut Calculations

Protein partition coefficients can be estimated efficiently by hybrid shortcut calculations

Cation Effect on the Water Activity of Ternary (S)-Aminobutanedioic Acid Magnesium Salt Solutions at 298.15 and 310.15 K

Thermodynamics of Bioreactions

Compatible solutes: Thermodynamic properties relevant for effective protection against osmotic stress

A Novel Approach for Analyzing the Dissolution Mechanism of Solid Dispersions

Modeling aqueous two-phase systems: III. Polymers and organic salts as ATPS former

Different recycling concepts in the homogeneously catalysed synthesis of terpenyl amines

Effect of salts on the solubility of ionic liquids in water: experimental and electrolyte Perturbed-Chain Statistical Associating Fluid Theory

Predicting the Solubility Advantage of Amorphous Pharmaceuticals: A Novel Thermodynamic Approach

Dissolution of Crystalline Pharmaceuticals: Experimental Investigation and Thermodynamic Modeling

Solubility and Caloric Properties of Cinnarizine

Influence of excipients on solubility and dissolution of pharmaceuticals

Separation Performance of BioRenewable Deep Eutectic Solvents

Measurement and Modeling of Phase Equilibria in Systems of Acetonitrile, n-Alkanes, and beta-Myrcene

Phase Equilibria in Systems of Morpholine, Acetonitrile, and n-Alkanes

Solvent effects on esterification equilibria

Benchmark Thermochemistry for Biologically Relevant Adenine and Cytosine. A Combined Experimental and Theoretical Study

Predicting CO2 solubility in aqueous N-methyldiethanolamine solutions with ePC-SAFT

Modeling thermodynamic derivative properties of ionic liquids with ePC-SAFT

Thermodynamic Modeling for Efficient Cocrystal Formation

Osmotic Virial Coefficients as Access to the Protein Partitioning in Aqueous Two-Phase Systems

Optimization of the Appendix Gap Design in Stirling Engines

Reactive extraction of cis,cis-muconic acid

The dynamic influence of cells on the formation of stable emulsions in organic-aqueous biotransformations

Measurement and PC-SAFT modelling of three-phase behaviour

A Novel Approach for Analyzing the Dissolution Mechanism of Solid Dispersions

Partition Coefficients of Pharmaceuticals as Functions of Temperature and pH

Osmotic Virial Coefficients as Access to the Protein Partitioning in Aqueous Two-Phase Systems

Process boundaries of irreversible scCO(2)-assisted phase separation in biphasic whole-cell biocatalysis

Thermodynamic phase behaviour of indomethacin/PLGA formulations

Modeling imidazolium-based ionic liquids with ePC-SAFT. Part II. Application to H2S and synthesis-gas components

Modeling aqueous two-phase systems: II. Inorganic salts and polyether homo- and copolymers as ATPS former

Modeling aqueous two-phase systems: I. Polyethylene glycol and inorganic salts as ATPS former

A thermodynamic investigation of the glucose-6-phosphate isomerization

Density of Mixtures Containing Sugars and Ionic Liquids: Experimental Data and PC-SAFT Modeling

PC-SAFT parameters from ab initio calculations

Thermodynamic Properties of Aqueous Glucose–Urea–Salt Systems

Analytical Modeling of Appendix Gap Losses in Stirling Cycle Machines

Review of Models for Appendix Gap Losses in Stirling Cycle Machines

New Analytical Model for Appendix Gap Losses in Stirling Cycle Machines

Operating Characteristics of a Laboratory-Scale, Convertible Stirling-Vuilleumier-Hybrid CHP System Including a Reversed-Rotation Stirling Mode

Vapor–Liquid Equilibria of Water + Alkylimidazolium-Based Ionic Liquids: Measurements and Perturbed-Chain Statistical Associating Fluid Theory Modeling

Modeling the Viscosity of Ionic Liquids with the Electrolyte Perturbed-Chain Statistical Association Fluid Theory

Calculation of complex phase equilibria of DMF/alkane systems using the PCP-SAFT equation of state

Interfacial tension of binary mixtures exhibiting azeotropic behavior: Measurement and modeling with PCP-SAFT combined with Density Gradient Theory

High-pressure gas solubility in multicomponent solvent systems for hydroformylation. Part II: Syngas solubility

ePC-SAFT revised

Measuring and modeling aqueous electrolyte/amino-acid solutions with ePC-SAFT

Model-based prediction of optimal conditions for 1-octene hydroformylation

Thermodynamic Phase Behavior of API/Polymer Solid Dispersions

Influence of Copolymer Composition on the Phase Behavior of Solid Dispersions

PC-SAFT based group contribution method for binary interaction parameters of polymer/solvent systems

Extension of the PC-SAFT based group contribution method for polymers to aromatic, oxygen- and silicon-based polymers

Modeling Growth Rates in Static Layer Melt Crystallization

Melt crystallization of isomeric long-chain aldehydes from hydroformylation

Time-monitoring sensor based on oxygen diffusion in an indicator/polymer matrix

The role of activity coefficients in bioreaction equilibria: Thermodynamics of methyl ferulate hydrolysis

Solubility of Sugars and Sugar Alcohols in Ionic Liquids: Measurement and PC-SAFT Modeling

Modelling of organic-solvent flux through a polyimide membrane

A Review of Models for Appendix Gap Losses in Stirling Cycle Machines

Design of hybrid distillation/melt crystallisation processes for separation of close boiling mixtures

Solubility of Pharmaceuticals and Their Salts As a Function of pH

Laboratory-Scale Stirling-Vuilleumier Hybrid System Part I: Application of Similarity-Based Design

Laboratory-Scale Stirling-Vuilleumier Hybrid System Part II: Experimental Results

Toluene Sorption in Poly(styrene) and Poly(vinyl acetate) near the Glass Transition

Simultane Modellierung von Phasengleichgewichten und Grenzflächeneigenschaften mithilfe des PCP-SAFT-Modells

Solvent-Sensitive Reversible Stress-Response of Shape Memory Natural Rubber

High-pressure gas solubility in multicomponent solvent systems for hydroformylation. Part I: Carbon monoxide solubility

Modeling thermodynamic properties of aqueous single-solute and multi-solute sugar solutions with PC-SAFT

Molecular Interactions in 1-Butanol + IL Solutions by Measuring and Modeling Activity Coefficients

Liquid–Liquid Equilibria of 1-Butanol/Water/IL Systems

Modeling imidazolium-based ionic liquids with ePC-SAFT

Osmotic Coefficients of Aqueous Weak Electrolyte Solutions: Influence of Dissociation on Data Reduction and Modeling

Development of a group contribution method for polymers within the PC-SAFT model

Separation of the isomeric long-chain aldehydes dodecanal/2-methylundecanal via layer melt crystallization

Activity Coefficients of Complex Molecules by Molecular Simulation and Gibbs-Duhem Integration

Water activity coefficients in aqueous amino acid solutions by molecular dynamics simulation: 1. Force field development

Integrated organic-aqueous biocatalysis and product recovery for quinaldine hydroxylation catalyzed by living recombinant Pseudomonas putida

Integrated organic–aqueous biocatalysis and product recovery for quinaldine hydroxylation catalyzed by living recombinant Pseudomonas putida KT2440 (pKP1)

Thermodynamic Properties of Aqueous Salt Containing Urea Solutions

VOC sorption in glassy polyimides - Measurements and modeling

Modeling Liquid-Liquid Equilibria of Polyimide Solutions

Reducing the Amount of PCP-SAFT Fitting Parameters. 2. Associating Components

Reducing the Amount of PCP-SAFT Fitting Parameters. 1. Non-Polar and Dipolar Components

Phase behavior of poly(dimethylsiloxane)-poly(ethylene oxide) amphiphilic block and graft copolymers in compressed carbon dioxide

Non-Fickian Diffusion of Toluene in Polystyrene in the Vicinity of the Glass-Transition Temperature

Hydroformylation of 1-Dodecene in the Thermomorphic Solvent System Dimethylformamide/Decane. Phase Behavior-Reaction Performance-Catalyst Recycling

Measuring and modeling alcohol/salt systems

Modeling Poly(N-isopropylacrylamide) Hydrogels in Water/Alcohol Mixtures with PC-SAFT

pePC-SAFT: Modeling of polyelectrolyte systems 2. Aqueous two-phase systems

Habit prediction of succinic acid influenced by two solvents using build-in method

Simultaneous correlation of hydrophobic interactions in HIC and protein solubility in aqueous salt solutions and mixed solvents

Modeling Liquid - Liquid Equilibria of Polyimide Solutions

Minimal Experimental Data Set Required for Estimating PCP-SAFT Parameters

Modeling pH and Solubilities in Aqueous Multisolute Amino Acid Solutions

Experimental Results of a Novel Laboratory – Scale Stirling – Vuilleumier Hybrid System

Thermodynamische Berechnungsmethoden für Löslichkeiten

Measuring and Modeling Activity Coefficients in Aqueous Amino-Acid Solutions

pePC-SAFT: Modeling of polyelectrolyte systems: 1. Vapor-liquid equilibria

Solubility, crystallization and oiling-out behavior of PEGDME: 1. Pure-solvent systems

Measurement and Modeling Solubility of Aqueous Multisolute Amino-Acid Solutions

Tensile Creep Measurements of Glassy VOC-Loaded Polymers

Compatible solutes: Thermodynamic properties and biological impact of ectoines and prolines

Supercritical phase behavior for biotransformation processing

Efficient Phase Separation and Product Recovery in Organic-Aqueous Bioprocessing Using Supercritical Carbon Dioxide

Effect of Finite Extensibility on the Equilibrium Chain Size

A dynamic model of the fuel processor for a residential PEM fuel cell energy system

Modeling the Phase Behavior of PEO-PPO-PEO Surfactants in Carbon Dioxide Using the PC-SAFT Equation of State: Application to Dry Decontamination of Solid Substrates

Design of an Experimental Convertible Stirling-Vuilleumier Hybrid System Obtained by Similarity-Based Scaling

Application of Similarity-Based Scaling to the Design of an Experimental, Laboratory-Scale Convertible Stirling – Vuilleumier Hybrid Engine

Modeling the solubility of pharmaceuticals in pure solvents and solvent mixtures for drug process design

Modeling aqueous electrolyte solutions. Part 2. Weak electrolytes

Phase-equilibrium measurement and modeling of the PMMA/MMA/carbon dioxide ternary system

Experimental investigation and prediction of oiling out during crystallization process

Design of contact-active antimicrobial acrylate-based materials using biocidal macromers

Modeling of aqueous poly(oxyethylene) solutions: 1. Atomistic Simulations

Modeling of aqueous poly(oxyethylene) solutions: 1. Atomistic simulations (vol 112, pg 2388, 2008)

Modeling of Aqueous Poly(oxyethylene) Solutions. 2. Mesoscale Simulations

Design of a Convertible Stirling – Vuilleumier Hybrid System for Demand–oriented Decentralized Cogeneration and Heat Pump Application

Biothermodynamics

Modeling of aqueous amino acid and polypeptide solutions with PC-SAFT

Computing activity coefficients of binary Lennard-Jones mixtures by Gibbs-Duhem integration

Modeling aqueous electrolyte solutions - Part 1. Fully dissociated electrolytes

Application of the PC-SAFT equation of state to modeling of solid-liquid equilibria in systems with organic components forming chemical compounds

Modeling of polar systems using PCP-SAFT: An approach to account for induced-association interactions

Modeling vapor-liquid equilibria of ethanol+1,1,1,2,3,3,3-heptafluoropropane binary mixtures using PC-SAFT

Modeling of solid-liquid equilibria for systems with solid-complex phase formation

Cloud-point pressure curves of ethylene-based terpolymers in fluid ethene and in ethene-comonomer-mixtures - Experimental study and modeling via PC-SAFT

Phase equilibria and diffusion coefficients in the poly(dimethylsiloxane) plus n-pentane system

Phase equilibria in polydisperse and associating copolymer solutions: Poly (ethene-co-(meth)acrylic acid)-monomer mixtures

Limitations in numerical prediction and reproduction of the performance of regenerative machines

Solubility of amino acids: Influence of the pH value and the addition of alcoholic cosolvents on aqueous solubility

Fickian and non-Fickian sorption kinetics of toluene in glassy polystyrene

Modellierung und Optimierung der Gasaufbereitung für eine PEMFC-Hausenergieversorgungsanlage

Thermodynamic modeling of complex systems using PC-SAFT

Modeling of aqueous electrolyte solutions with perturbed-chain statistical associated fluid theory

Modeling of aqueous electrolyte solutions with perturbed-chain statistical association fluid theory (vol 44, pg 8944, 2004)

High-pressure phase behavior of the system PCHC-CHO-CO2 for the development of a solvent-free alternative toward polycarbonate production

Modeling of polar systems with the perturbed-chain SAFT equation of state. Investigation of the performance of two polar terms

Experimental Operating Characteristics of Three Different Displacer Systems for Free Piston Vuilleumier Heat Pumps

Thermodynamics of polymer systems

Application of the Perturbed-Chain SAFT equation of state to polar systems

Cloud-point curves of ethylene-(meth)acrylate copolymers in fluid ethene up to high pressures and temperatures - experimental study and PC-SAFT modeling

Multicomponent flash algorithm for mixtures containing polydisperse polymers

Modeling copolymer systems using the perturbed-chain SAFT equation of state

The Free Piston Vuilleumier Heat Pump as a Central Heating System- Projekt Overview

Modeling polymer systems using the perturbed-chain statistical associating fluid theory equation of state

Application of the perturbed-chain SAFT equation of state to associating systems

The influence of supercritical gases on the phase behavior of polystyrene-cyclohexane and polyethylene-cyclohexane systems: experimental results and modeling with the SAFT-equation of state

Modeling of polymer phase equilibria using Perturbed-Chain SAFT

Modeling of solid/fluid phase equilibria in multicomponent systems at high pressure

The free piston Vuilleumier heat pump for residential heating: Project status

Perturbed-chain SAFT: An equation of state based on a perturbation theory for chain molecules

Ein neuartiger, bedarfsgerecht umschaltbarer Gaskreisprozess für eine integrierte, dezentrale Wärme-Kraft-Kälte-Kopplung

Measurement and modelling of high-pressure phase equilibria in the systems polyethyleneglycol (PEG)-propane, PEG-nitrogen and PEG-carbon dioxide

Entwicklung und experimentelle Untersuchung neuer Regeneratorkonzepte für regenerative Gaskreisprozesse am Beispiel einer Vuilleumier-Wärmepumpe

Calculation of solid/fluid equilibria at elevated pressures

Application of the free piston concept to Vuilleumier heat pumps

Application of perturbation theory to a hard-chain reference fluid: an equation of state for square-well chains

Numerical Investigations on the Heat Transfer in Turbulent Oscillating Pipe Flow

Modelling of high-pressure phase equilibria using the Sako-Wu-Prausnitz equation of state - II. Vapour-liquid equilibria and liquid-liquid equilibria in polyolefin systems

Modelling of high-pressure phase equilibria using the Sako-Wu-Prausnitz equation of state - I. Pure-components and heavy n-alkane solutions

Modeling of the separation of polydisperse polymer systems by compressed gases

Thermodynamic Design and Optimization of a 20 kW Vuilleumier Heat Pump

Optimization Procedures for Regenerative Cycles Minimizing Parameter Interaction and Numerical Noise Effects

Theoretical models and correlations for the flow friction and heat transfer characteristics of random wire regenerator materials

A Contribution to the Systematic Classification of Regenerative Cycles

Auswahl- und Auslegungskriterien für regenerative Gaskreisprozesse in Heizungswärmepumpen und Kältemaschinen bei kleinen Temperaturhüben

A square-well based equation of state taking into account the connectivity in chain molecules

A square-well based equation of state taking into account the connectivity in chain molecules (vol 149, pg 75, 1998)

Influence of Developing Flow on the Heat Transfer in Laminar Oscillating Pipe Flow

Separations and material processing in solutions with dense gases

High speed gas temperature measurements in a Vuilleumier heat pump and their reproduction by differential computer simulation

Ähnlichkeitstheoretische Ansätze zur Optimierung regenerativer Gaskreisprozesse - Teil 2: Kolben und Regeneratoren

Ähnlichkeitstheoretische Ansätze zur Optimierung regenerativer Gaskreisprozesse - Teil 1: Wärmeaustauscher

Finite and infinite dilution activity coefficients in polycarbonate systems

New processes with compressed gases

Supercritical antisolvent fractionation: measurements in the systems monodisperse and bidisperse polystyrene cyclohexane carbon dioxide

Comparison of two predictive g(E) models for vapour-liquid equilibrium calculations

A 2nd order regenerator model including flow dispersion and bypass losses

Improved Instrument for Measuring Vapor-Pressure above Concentrated Polymer-Solutions and Use of the Measured Data in Thermodynamic Simulation of an Extruder

Generalized evaluation of flow losses in 2nd order analysis of regenerative cycles

Modeling of thermal regenerator losses due to axial flow dispersion

High-pressure phase equilibrium in multicomponent hydrocarbon systems using the MFLG model

Natural Gas Driven Vuilleumier Heat Pumps for Residential Heating

Optimization of the Swept Volume Ratio for Cold-End and Hot-End Connected Gamma Type Stirling Engines

Conversion of a Crank-driven Vuilleumier Heat Pump into a Free Piston Machine

Effects of an Improved Hot Regenerator on the Performance of a Vuilleumier Heat Pump

Measured Performance of an Experimental Vuilleumier Heat Pump in Comparison to 3rd Order Theory

A Short-Cut Optimization of the Swept Volume Ratio for Regenerative Cycles

Berechnung des regenerativen Kreisprozesses einer Vuilleumier-Wärmepumpe

A Low-Delta-T Stirling Engine for Solar Collector Operation

Computer simulation of a vuilleumier cycle heat pump for domestic use