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List of works by Gabriele Sadowski

A Novel Approach for Analyzing the Dissolution Mechanism of Solid Dispersions

scientific article published on 27 February 2015

A novel theoretical strategy for predicting dissolution kinetics and mechanisms of pharmaceuticals in complex biorelevant media

scientific article published in December 2023

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

A thermodynamic investigation of the glucose-6-phosphate isomerization

scientific article published on 21 August 2014

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

Amorphous-Amorphous Phase Separation in API/Polymer Formulations

scientific article published on 15 February 2017

Anomalous Water-Sorption Kinetics in ASDs

scientific article published on 7 September 2022

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

article

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

Application of the Perturbed-Chain SAFT Equation of State to Associating Systems

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

Applied Catastrophic Phase Inversion (ACPI) - A Continuous Noncentrifugal Phase Separation in Biphasic Whole-Cell Biocatalysis

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

scientific article published on 20 September 2016

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

scientific article published on 8 February 2023

Berechnung von Fest/Fluid-Phasengleichgewichten bei erhöhten Drücken

Bottom-up production of injectable itraconazole suspensions using membrane technology

scientific article published in April 2024

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

scientific article published on 2 May 2022

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

Carboxylation of Acetylene without Salt Waste: Green Synthesis of C 4 Chemicals Enabled by a CO 2 ‐Pressure Induced Acidity Switch

scientific article published on 24 May 2023

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

scholarly article by Christoph Held et al published 12 July 2016 in Journal of Chemical & Engineering Data

Choosing Appropriate Solvents for ASD Preparation

scholarly article by Christian Luebbert et al published 24 October 2018 in Molecular Pharmaceutics

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

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

Co-Crystal Screening by Vapor Sorption of Organic Solvents

scientific article published on 9 June 2021

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

article

Co-sorption of volatile components in polymer-based pharmaceutical formulations

scientific article published in February 2025

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

scientific article published on 02 October 2019

Combining crystalline and polymeric excipients in API solid dispersions - opportunity or risk?

scientific article published on 06 December 2020

Comparison of two predictive gE models for vapour—liquid equilibrium calculations

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

scientific article published on 3 August 2010

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

Computing Activity Coefficients of Binary Lennard-Jones Mixtures by Gibbs-Duhem Integration

scientific article published in 2008

Continuous phase separation of stable emulsions from biphasic whole‐cell biocatalysis by catastrophic phase inversion

scientific article published on 5 April 2023

Cosolvent and pressure effects on enzyme-catalysed hydrolysis reactions

scientific article published on 20 June 2019

Counteracting the loss of release for indomethacin-copovidone ASDs

scientific article published in January 2025

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

scientific article published on 15 August 2017

DSC reveals the excipient impact on aggregation propensity of pharmaceutical peptides during freezing

scientific article published in January 2025

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

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

scientific article published on 12 July 2019

Design of Contact-Active Antimicrobial Acrylate-Based Materials Using Biocidal Macromers

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

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

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

article

Different recycling concepts in the homogeneously catalysed synthesis of terpenyl amines

Diffusion of poly(ethylene glycol) and ectoine in NIPAAm hydrogels with confocal Raman spectroscopy

Dissolution Mechanisms of Amorphous Solid Dispersions: Application of Ternary Phase Diagrams To Explain Release Behavior

scientific article published on 12 March 2024

Dissolution of Crystalline Pharmaceuticals: Experimental Investigation and Thermodynamic Modeling

article published in 2015

Drug Release Kinetics and Mechanism from PLGA Formulations

Editorial

Editorial: Molecular Modeling and Simulation in JCED

Effect of Finite Extensibility on the Equilibrium Chain Size

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

Efficient phase separation and product recovery in organic-aqueous bioprocessing using supercritical carbon dioxide

scientific article published in November 2010

Eine verbesserte Apparatur zur Messung von Dampfdrücken über konzentrierten Polymerlösungen und die Anwendung der Meßdaten bei der thermodynamischen Simulation eines Ausdampfextuders

Entwurfsmethode zur Auslegung hybrider Trennverfahren aus Rektifikation und Schmelzekristallisation für die Aufreinigung engsiedender Gemische

article published in 2012

Environmental memory of polymer networks under stress

scientific article published on 14 March 2014

Experimental investigation and prediction of oiling out during crystallization process

Explaining the Release Mechanism of Ritonavir/PVPVA Amorphous Solid Dispersions

scientific article published on 8 September 2022

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

Factors Influencing the Crystallization-Onset Time of Metastable ASDs

scientific article published on 23 January 2022

Fickian and Non-Fickian Sorption Kinetics of Toluene in Glassy Polystyrene

Finite and infinite dilution activity coefficients in polycarbonate systems

Fitting Error vs Parameter Performance─How to Choose Reliable PC-SAFT Pure-Component Parameters by Physics-Informed Machine Learning

scientific article published on 12 October 2023

Generalized Diffusion–Relaxation Model for Solvent Sorption in Polymers

scientific article published on 20 October 2021

Heterosegmental Modeling of Long-Chain Molecules and Related Mixtures Using PC-SAFT: 2. Associating Compounds

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

High-Pressure Phase Behavior of the System PCHC−CHO−CO2for the Development of a Solvent-Free Alternative toward Polycarbonate Production

article

High-Pressure-Mediated Thiourea-Organocatalyzed Asymmetric Michael Addition to (Hetero)aromatic Nitroolefins: Prediction of Reaction Parameters by PCP-SAFT Modelling

scientific article published on 01 June 2020

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

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

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

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

scholarly article

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

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

Hydrogel research in Germany: the priority programme, Intelligent Hydrogels

article

Hydrophobic interactions described using hetero-segmented PC-SAFT: 1. Alcohol/water mixtures

scientific article published in July 2024

Impact of Deep Eutectic Solvents on Kinetics and Folding Stability of Formate Dehydrogenase

scientific article published on 22 September 2023

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

scientific article published on 19 October 2017

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

scientific article published in December 2021

In-Silico Screening of Lipid-Based Drug Delivery Systems

scientific article published on 23 November 2020

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

scientific article published in June 2018

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

scientific article published on 7 August 2015

Influence Mechanism of Polymeric Excipients on Drug Crystallization: Experimental Investigation and Chemical Potential Gradient Model Analysis and Prediction

scientific article published on 12 April 2023

Influence of Hydrophobic and Hydrophilic Chain Length of C i E j Surfactants on the Solubilization of Active Pharmaceutical Ingredients

scientific article published on 24 December 2022

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

scientific article published on 5 January 2018

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

scientific article

Influence of Solvents and Salts on CO 2 Solubility and the Impact on an Esterification Reaction

scientific article published on 31 August 2023

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

scientific article published in March 2022

Influence of copolymer composition on the phase behavior of solid dispersions

scientific article published on 21 October 2014

Influence of cytosolic conditions on the reaction equilibrium and the reaction enthalpy of the enolase reaction accessed by calorimetry and van 't HOFF

scientific article published on 28 June 2020

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

Influence of humidity on the phase behavior of API/polymer formulations

scientific article

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

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

scientific article published on 16 March 2022

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

scientific article published in December 2022

Innovative Verfahren mit komprimierten Gasen

article published in 1997

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

scientific article published on 02 March 2012

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

Investigating phase separation in amorphous solid dispersions via Raman mapping

scientific article published on 10 November 2017

Investigation of Mass Transfer in Organic Solvent Nanofiltration Membranes

Investigations of Phase Growth in the Copper-Tin System

Kinetics of Water-Induced Amorphous Phase Separation in Amorphous Solid Dispersions via Raman Mapping

scientific article published on 2 May 2023

Leveraging liquid-liquid phase separation and volume modulation to regulate the enzymatic activity of formate dehydrogenase

scientific article published in January 2024

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

scholarly article

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

Liquid–Liquid Equilibria of Systems with Linear Aldehydes. Experimental Data and Modeling with PCP-SAFT

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

scientific article published on 7 December 2016

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

scientific article published in December 2022

Measurement and Modeling Solubility of Aqueous Multisolute Amino-Acid Solutions

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

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

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

Measuring and Modeling Activity Coefficients in Aqueous Amino-Acid Solutions

Measuring and Modeling Water Sorption in Amorphous Indomethacin and Ritonavir

scientific article published on 14 February 2022

Measuring and Predicting Thermodynamic Limitation of an Alcohol Dehydrogenase Reaction

Measuring and modeling alcohol/salt systems

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

Melt crystallization of isomeric long-chain aldehydes from hydroformylation

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

scientific article published on 23 February 2023

Miniaturized based on oxygen diffusion timing sensor for polymer packaging

Minimal Experimental Data Set Required for Estimating PCP-SAFT Parameters

article

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

Modeling Copolymer Systems Using the Perturbed-Chain SAFT Equation of State

article

Modeling Growth Rates in Static Layer Melt Crystallization

Modeling Liquid–Liquid Equilibria of Polyimide Solutions

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

Modeling Polymer Systems Using the Perturbed-Chain Statistical Associating Fluid Theory Equation of State

article

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

Modeling aqueous electrolyte solutions

Modeling aqueous electrolyte solutions. Part 2. Weak electrolytes

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

article published in 2014

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

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

article published in 2015

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

Modeling imidazolium-based ionic liquids with ePC-SAFT

article published in 2012

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

Modeling of Aqueous Electrolyte Solutions with Perturbed-Chain Statistical Associated Fluid Theory

Modeling of Aqueous Electrolyte Solutions with Perturbed-Chain Statistical Association Fluid Theory

Modeling of Aqueous Poly(oxyethylene) Solutions: 1. Atomistic simulations

Modeling of Interfacial Tensions of Long-Chain Molecules and Related Mixtures Using Perturbed Chain-Statistical Associating Fluid Theory and the Density Gradient Theory

scholarly article

Modeling of Polar Systems Using PCP-SAFT:  An Approach to Account for Induced-Association Interactions†

Modeling of Polar Systems with the Perturbed-Chain SAFT Equation of State. Investigation of the Performance of Two Polar Terms

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

Modeling of aqueous poly(oxyethylene) solutions. 2. Mesoscale simulations

scientific article published on 8 October 2008

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

scientific article published on 6 February 2008

Modeling of polymer phase equilibria using Perturbed-Chain SAFT

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

Modeling of the separation of polydisperse polymer systems by compressed gases

Modeling pH and Solubilities in Aqueous Multisolute Amino Acid Solutions

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†

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

scientific article published in November 2009

Modeling the temperature-dependent solubility of salts in organic solvents

scientific article published in September 2023

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

article by Christoph Held et al published 23 August 2013 in AIChE Journal

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

Modelling Specific Ion Effects in Engineering Science

Modelling of high-pressure phase equilibria using the Sako–Wu–Prausnitz equation of state

Modelling of high-pressure phase equilibria using the Sako–Wu–Prausnitz equation of state

article published in 1999

Modelling of organic-solvent flux through a polyimide membrane

article

Modelling polylactide/water/dioxane systems for TIPS scaffold fabrication

Moisture-induced phase separation and recrystallization in amorphous solid dispersions

scientific article published on 31 August 2017

Molecular interactions in 1-butanol + IL solutions by measuring and modeling activity coefficients

scientific article published on 8 March 2013

Molecular thermodynamics of complex coacervate systems. Part I: Modeling of polyelectrolyte solutions using pePC-SAFT

scientific article published in April 2025

Molecular thermodynamics of complex coacervate systems. Part II: Measuring and modeling of the phase envelope using pePC-SAFT

scientific article published in April 2025

Multicomponent flash algorithm for mixtures containing polydisperse polymers

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

scientific article published on 8 January 2018

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

Neural Network-Based Tensor Completion: Advancing Predictions of Activity Coefficients and Beyond

scientific article published on 8 July 2024

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

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

scientific article published on 18 November 2015

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

scientific article

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

Osmolyte effect on enzymatic stability and reaction equilibrium of formate dehydrogenase

Osmolyte effect on enzymatic stability and reaction equilibrium of formate dehydrogenase

scientific article published in 2022

Osmotic coefficients of aqueous weak electrolyte solutions: influence of dissociation on data reduction and modeling

scientific article

PC-SAFT Modeling of CO2 Solubilities in Deep Eutectic Solvents

scientific article published on 26 January 2016

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

PC-SAFT parameters from ab initio calculations

PC-SAFT-Assisted Design of Antisolvent Naproxen Crystallization in the Presence of Polymers

scientific article published in April 2024

Partition Coefficients of Pharmaceuticals as Functions of Temperature and pH

Peer Review Appreciation at JCED

article

Perturbed-Chain SAFT: An Equation of State Based on a Perturbation Theory for Chain Molecules

Perturbed-Chain-SAFT

Phase Behavior of Binary Mixtures Containing Succinic Acid or Its Esters

Phase Behavior of Polymer Systems in High-Pressure Carbon Dioxide

Phase Equilibria for the Hydroaminomethylation of 1-Decene

scientific article published on 13 October 2021

Phase Equilibria for the Hydroesterification of 10-Undecenoic Acid Methyl Ester

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

Phase behavior of ASDs based on hydroxypropyl cellulose

scientific article published on 19 December 2020

Phase behavior of pharmaceutically relevant polymer/solvent mixtures

scientific article published on 24 January 2020

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

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

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

Phase-Equilibrium Measurements of the Polystyrene/Styrene/Carbon Dioxide Ternary System at Elevated Pressures Using ATR-FTIR Spectroscopy

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

Physical Stability of API/Polymer-Blend Amorphous Solid Dispersions

scientific article published on 18 December 2017

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

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

scientific article published in April 2023

Predicting Deliquescence Relative Humidities of Crystals and Crystal Mixtures

scientific article published on 26 May 2021

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

scientific article published in February 2023

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

scientific article published on 29 January 2022

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

scientific article published on 23 April 2021

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

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

Predicting the Extraction Behavior of Pharmaceuticals

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

scientific article

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

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

scientific article published on 7 May 2016

Predicting the Solvent Effect on Esterification Kinetics

scientific article published on 30 May 2017

Predicting the Water Sorption in ASDs

scientific article published on 31 May 2022

Predicting the amorphous-phase composition during lyophilization

scientific article published in April 2023

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

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

scientific article published on 12 October 2018

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

scientific article published in 2022

Preface to the Special Issue in Honor of Xiaohua Lu

scientific article published on 12 December 2024

Process boundaries of irreversible scCO2-assisted phase separation in biphasic whole-cell biocatalysis

scientific article published on 30 June 2015

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

scientific article published on 9 September 2021

Protein partition coefficients can be estimated efficiently by hybrid shortcut calculations

scientific article published on 4 July 2016

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

scientific article published on 12 August 2019

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

article published in 2017

Recovery of cis,cis-muconic acid from organic phase after reactive extraction

article

Reducing the amount of PCP-SAFT fitting parameters. 1. Non-polar and dipolar components

Reducing the amount of PCP–SAFT fitting parameters. 2. Associating components

Reply to Comment on “Perturbed-Chain SAFT: An Equation of State Based on a Perturbation Theory for Chain Molecules”

Rigorous modeling the pH-dependent solubility of weak acids, weak bases and their salts

scholarly article

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

article published in 2016

Salzabfall‐freie Carboxylierung von Acetylen: Grüne Synthese von C 4 ‐Chemikalien durch einen CO 2 ‐Druck‐induzierten Aciditätsswitch

scientific article published on 24 May 2023

Selecting Excipients Forming Therapeutic Deep Eutectic Systems-A Mechanistic Approach

scientific article published on 29 May 2019

Separation of non-volatile components by expansion with high-pressure gases

Separations and Material Processing in Solutions with Dense Gases

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

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

scientific article published on 04 April 2019

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

scientific article published on 13 February 2023

Simultaneous Water Sorption and Crystallization in ASDs 1: Stability Studies Lasting for Two Years

scientific article published on 4 January 2024

Simultaneous Water Sorption and Crystallization in ASDs 2: Modeling Long-Term Stabilities

scientific article published on 14 May 2024

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

Solid Dispersion - a Pragmatic Method to Improve the Bioavailability of Poorly Soluble Drugs

Solubility Measurement and Thermodynamic Modeling of Bifendate in 13 Pure Solvents at Temperatures from 293.15 to 333.15 K

scientific article published on 23 July 2024

Solubility and Caloric Properties of Cinnarizine

Solubility calculation of pharmaceutical compounds – A priori parameter estimation using quantum-chemistry

Solubility of Amino Acids: Influence of the pH value and the Addition of Alcoholic Cosolvents on Aqueous Solubility

article

Solubility of Complex Natural and Pharmaceutical Substances

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

scientific article published on 15 June 2022

Solubility of Pharmaceutical Ingredients in Natural Edible Oils

scientific article published on 05 May 2020

Solubility of Pharmaceuticals and Their Salts As a Function of pH

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

scientific article published on August 16, 2013

Solubility of naproxen and indomethacin in supercritical carbon dioxide/ethyl acetate mixtures

scientific article published in September 2023

Solubility of pharmaceutical ingredients in triglycerides

scientific article published on 02 November 2019

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

Solubilization of Aldehydes and Amines in Aqueous C i E j Surfactant Aggregates: Solubilization Capacity and Aggregate Properties

scientific article published on 4 August 2022

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

scientific article published on 17 November 2016

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

scientific article published on 29 December 2020

Solvent effects on esterification equilibria

Solvent influence on the phase behavior and glass transition of ASDs

scientific article published on 16 November 2020

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

scientific article published in November 2021

Solvent-sensitive reversible stress-response of shape memory natural rubber

scientific article published on 16 April 2013

Solving Phase Equilibrium Problems by Means of Avoidance-Based Multiobjectivization

Special themed issue on “Responsive gels”

Stable Emulsions in Biphasic Whole-Cell Biocatalysis: The Mechanism of scCO2-Assisted Phase Separation

Standard Gibbs Energy of Metabolic Reactions: I. Hexokinase Reaction

scientific article

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

article by Anton Wangler et al published 28 February 2018 in ACS Omega

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

scientific article

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

scientific article published on 13 January 2020

Standard Gibbs energy of metabolic reactions: V. Enolase reaction

scientific article published on 18 January 2020

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

scientific article published in 2020

Strategy of Coupling Artificial Intelligence with Thermodynamic Mechanism for Predicting Complex Polymer Viscosities

scientific article published on 6 March 2024

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

scientific article published on 03 September 2019

Supercritical antisolvent fractionation: measurements in the systems monodisperse and bidisperse polystyrenecyclohexanecarbon dioxide

Supercritical phase behavior for biotransformation processing

Swelling and Diffusion in Polymerized Ionic Liquids-Based Hydrogels

scientific article published in June 2021

Tailoring the use of excipients in bottom-up production of naproxen crystal suspensions via membrane technology

scientific article published in March 2024

Tensile Creep Measurements of Glassy VOC-Loaded Polymers

The Journal of Chemical & Engineering Data : Introduction of Topical Sections and Updates from the Editorial Team

scientific article published on 13 January 2022

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

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

scientific article published on 21 June 2022

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

scientific article published on 28 April 2015

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

scientific article published on 19 April 2020

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

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

scientific article published on 28 November 2020

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

scientific article

The shelf life of ASDs: 2. Predicting the shelf life at storage conditions

scientific article published on 15 December 2023

Theoretical modeling and prediction of biorelevant solubility of poorly soluble pharmaceuticals

scientific article published in September 2022

Thermodynamic Activity-Based Michaelis Constants

Thermodynamic Activity-Based Solvent Design for Bioreactions

scientific article published on 31 May 2019

Thermodynamic Approach for Co-crystal Screening

scholarly article

Thermodynamic Modeling for Efficient Cocrystal Formation

Thermodynamic Modeling of Complex Systems

Thermodynamic Modeling of Triglycerides using PC-SAFT

Thermodynamic Modeling of the Amorphous Solid Dispersion-Water Interfacial Layer and Its Impact on the Release Mechanism

scientific article published on 19 May 2023

Thermodynamic Phase Behavior of API/Polymer Solid Dispersions

scientific article published on 28 May 2014

Thermodynamic Properties of Aqueous Glucose–Urea–Salt Systems

article published in 2014

Thermodynamic Properties of Biogenic Amines and Their Solutions

scientific article published on 8 June 2021

Thermodynamic model for polyelectrolyte hydrogels

scientific article published on 20 August 2014

Thermodynamic modeling of complex systems using PC-SAFT

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

scientific article published on 28 May 2020

Thermodynamic phase behaviour of indomethacin/PLGA formulations

scientific article published on 16 March 2015

Thermodynamic prediction of the solvent effect on a transesterification reaction

article published in 2018

Thermodynamic properties of aqueous osmolyte solutions at high-pressure conditions

scientific article published on 27 June 2019

Thermodynamic properties of aqueous salt containing urea solutions

Thermodynamics of Bioreactions

scientific article

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

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

scientific article published on 12 May 2017

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

scientific article

Thermodynamics of polymer systems

Thermodynamics of the alanine aminotransferase reaction

Thermodynamische Berechnungsmethoden für Löslichkeiten

Thermophobicity of Liquids: Heats of Transport in Mixtures as Pure Component Properties

scientific article published in Physical Review Letters

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

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

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

scholarly article

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

scientific article published in August 2022

Using complex layer melt crystallization models for the optimization of hybrid distillation/melt crystallization processes

VOC Sorption in Stretched Cross-Linked Natural Rubber

VOC sorption in glassy polyimides—Measurements and modeling

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

Viscoelastic Behavior of Supercooled and Glassy ASDs at Humid Conditions Can Be Predicted

scientific article published on 7 April 2023

Viscosity of ASDs at humid conditions

scientific article published on 24 July 2020

Water Sorption in Glassy Polyvinylpyrrolidone-Based Polymers

scientific article published on 17 April 2022

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

scientific article published on 27 February 2023

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

article

ePC-SAFT revised

pePC-SAFT: Modeling of polyelectrolyte systems

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

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