Article
Thermodynamics
Ziga Medos, Isidora Cobanov, Marija Bester-Rogac, Bojan Sarac
Summary: This research paper examines the issues associated with power compensation isothermal titration calorimetry, highlighting the possibility of obtaining different enthalpy values with different instruments and setting parameters. It emphasizes that modern calorimeters' dynamic power compensation mode may lead to overcompensation of heat effects, resulting in experimental results heavily reliant on chosen parameters. To avoid these problems, the paper suggests checking raw signals and conducting experiments with low or disabled power compensation when observing switching effects.
JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY
(2021)
Article
Energy & Fuels
Bita Karami, Ahad Ghaemi, Shahrokh Shahhosseini
Summary: In this study, a novel hybrid solvent based on DESs was developed for CO2 separation. Different DESs added to DEA solution showed varying CO2 absorption performance and mass transfer characteristics. Hydrodynamic studies revealed a decrease in bubble size with the addition of DES, and partial replacement of water resulted in improved CO2 capture efficiency.
Article
Physics, Multidisciplinary
Monica Corea, Rogelio Jimenez-Juarez, Gabriela Martinez-Mejia, Maria de Jesus Martinez-Ortiz, Jose Manuel del Rio
Summary: The study experimentally analyzed the influence of the stock solution concentration on the geometrical characteristics of the titration curve, and found that the magnitude and shape of the heat titration depend on the stock solution concentration until reaching a limiting value. Qualitative analysis suggested that the limiting value is substance-dependent.
Article
Engineering, Chemical
Gyoung G. Jang, Abishek Kasturi, Diana Stamberga, Radu Custelcean, Jong K. Keum, Sotira Yiacoumi, Costas Tsouris
Summary: Large-scale deployment of DAC technologies is critical for addressing climate change. Guanidine compounds combined with environmentally friendly amino acids can efficiently capture CO2 from air and regenerate sorbents with low energy consumption. Microwave heating is found to be a fast and energy-efficient method for regenerating solid sorbents used in direct air capture.
SEPARATION AND PURIFICATION TECHNOLOGY
(2023)
Article
Biotechnology & Applied Microbiology
Shams T. A. Islam, Jie Zhang, Fabio Tonin, Renske Hinderks, Yanthi N. Deurloo, Vlada B. Urlacher, Peter-Leon Hagedoorn
Summary: Lignin valorization through laccase catalysis can release aromatic products, but different enzymes exhibit significant variations in conversion efficiency and rate. Trametes versicolor laccase follows Michaelis-Menten kinetics in converting Kraft lignin, with specific thermodynamic and kinetic parameters, making it a promising tool for guiding enzymatic lignin valorization strategies.
BIOTECHNOLOGY AND BIOENGINEERING
(2022)
Article
Chemistry, Physical
Pablo F. Garrido, Margarida Bastos, Adrian Velazquez-Campoy, Alfredo Amigo, Philippe Dumas, Angel Pineiro
Summary: The injection of air into an isothermal titration calorimeter's sample cell allows for accurate determination of the surface tension of the target liquid, despite the periodic contribution from bubbles. The new algorithm successfully identifies and analyzes these contributions, improving the analysis of calorimetric signals.
JOURNAL OF COLLOID AND INTERFACE SCIENCE
(2022)
Article
Engineering, Chemical
Paul Akula, Andrew Lee, John Eslick, Debangsu Bhattacharyya, David C. Miller
Summary: Accurate thermodynamic properties of electrolyte systems are crucial for chemical processes. This study presents a comprehensive description of the thermodynamic framework for multielectrolyte mixed solvent systems and successfully applies it to the MEA-H2O-CO2 case study.
Article
Engineering, Chemical
Nela Slavu, Adrian Badea, Cristian Dinca
Summary: This study analyzed the use of different concentrations of ammonia in capturing post-combustion CO2 in a coal-fired power station and compared it with the reference MEA case. The results showed that the CO2 capture cost was lowest for the process based on 7% ammonia, and the overall efficiency was optimized for 15% ammonia.
Review
Pharmacology & Pharmacy
Iago Dillion Lima Cavalcanti, Francisco Humberto Xavier Junior, Nereide Stela Santos Magalhaes, Mariane Cajuba de Britto Lira Nogueira
Summary: Isothermal titration calorimetry (ITC) is a technique for evaluating the thermodynamic profiles of connection between two molecules, allowing the experimental design of nanoparticles systems with drugs and/or biological molecules. In the field of pharmaceutical nanotechnology, ITC has been increasingly used to understand the interaction mechanisms in the formation of nanoparticles and the behavior of nanocarriers in in vivo studies. This technique provides quick and easy results to optimize the formulation process of nano-systems.
INTERNATIONAL JOURNAL OF PHARMACEUTICS
(2023)
Article
Chemistry, Multidisciplinary
Tzu-Yi Tai, Fanrui Sha, Xiaoliang Wang, Xingjie Wang, Kaikai Ma, Kent O. Kirlikovali, Shengyi Su, Timur Islamoglu, Satoshi Kato, Omar K. Farha
Summary: This study presents the first systematic investigation on the thermodynamics of protein immobilization in metal-organic frameworks (MOFs). It demonstrates that MOFs provide a hydrophobic stabilizing microenvironment for proteins, leading to an entropically driven encapsulation process. Among a series of Zr-MOFs, pyrene-based NU-1000 exhibits the most favorable encapsulation process for insulin.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2022)
Article
Biochemistry & Molecular Biology
Jean Nyoung Yun, Junseock Koh
Summary: Understanding the molecular mechanisms of multi-domain proteins and intrinsically disordered proteins undergoing liquid-liquid phase separation to form membraneless organelles or protein condensates is crucial. However, the regulatory functions of these condensates are still unclear due to limited knowledge about their assembly driving forces. In this study, isothermal titration calorimetry (ITC) is proposed as an efficient analytical tool to explore the thermodynamic parameters of cooperative condensate formations. Systematic simulations demonstrate that the initial heat analysis can quantitatively dissect protein condensates with a broad range of thermodynamic properties. This provides an opportunity to investigate the molecular driving forces of liquid-liquid phase separation by scrutinizing the thermodynamic quantities as functions of solution variables.
BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS
(2022)
Article
Energy & Fuels
Xianhang Jin, Enze Ren, Yun Yang
Summary: Recent research has shown that nonaqueous absorbents for CO2 capture have become the focus in research institutes for their advantages such as energy efficiency and noncorrosiveness. The polarity parameter and dielectric constant of solvents mainly affect the phase separation behavior and CO2 solubility of nonaqueous absorbents. Additionally, nonaqueous absorbents with ethylene glycol monoethyl ether as solvent show optimal CO2 cyclic capacity and heat of CO2 absorption.
Article
Biochemistry & Molecular Biology
Adam Jugl, Miloslav Pekar
Summary: The interactions between hyaluronan and cecropin B were investigated using high-resolution ultrasonic spectroscopy and isothermal titration calorimetry. The study found that the molecular weight of hyaluronan played a significant role in the interactions, particularly the transition between different conformations. In water, interactions were saturated at a molar charge ratio of 1.5, possibly due to steric hinderance or functional group interactions. However, in PBS, no interactions were observed, regardless of the molecular weight of hyaluronan, indicating that the interactions were suppressed at higher ionic strength.
INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES
(2023)
Article
Chemistry, Multidisciplinary
Fanrui Sha, Tzu-Yi Tai, Madeleine A. Gaidimas, Florencia A. Son, Omar K. Farha
Summary: Isothermal titration calorimetry (ITC) is a technique for measuring the thermodynamic parameters of binding events, which has applications not only in biological macromolecules but also in synthetic systems like metal-organic frameworks (MOFs). Utilizing ITC in MOFs can provide insights into small molecule adsorption mechanisms and the formation of MOF-based composite materials through non-covalent interactions, with specific experimental considerations discussed. Furthermore, underexplored research directions related to MOFs that could benefit from ITC are highlighted.
Article
Chemistry, Multidisciplinary
Xin He, Yangyan Gao, Yunlei Shi, Xiaowen Zhang, Zhiwu Liang, Riguang Zhang, Xingfei Song, Qinghua Lai, Hertanto Adidharma, Armistead G. Russell, Eric G. Eddings, Weiyang Fei, Fangqin Cheng, Shik Chi Edman Tsang, Jianji Wang, Maohong Fan
Summary: Ionic liquids serve as catalysts to accelerate both the sorption and desorption of carbon dioxide. By adding a small amount of the uniquely designed ionic liquid catalyst to monoethanolamine-based carbon dioxide capture, the desorption rate of carbon dioxide can be significantly increased, reducing energy consumption and avoiding secondary pollution.
Article
Computer Science, Hardware & Architecture
Nikola Tchipev, Steffen Seckler, Matthias Heinen, Jadran Vrabec, Fabio Gratl, Martin Horsch, Martin Bernreuther, Colin W. Glass, Christoph Niethammer, Nicolay Hammer, Bernd Krischok, Michael Resch, Dieter Kranzlmueller, Hans Hasse, Hans-Joachim Bungartz, Philipp Neumann
INTERNATIONAL JOURNAL OF HIGH PERFORMANCE COMPUTING APPLICATIONS
(2019)
Article
Engineering, Environmental
Richard Behrens, Maximilian Dyga, Georg Sieder, Erik von Harbou, Hans Hasse
CHEMICAL ENGINEERING JOURNAL
(2019)
Article
Thermodynamics
Richard Behrens, Elmar Kessler, Kerstin Muennemann, Hans Hasse, Erik von Harbou
FLUID PHASE EQUILIBRIA
(2019)
Article
Engineering, Chemical
Anne Friebel, Erik von Harbou, Kerstin Muennemann, Hans Hasse
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
(2019)
Article
Chemistry, Physical
Martin P. Lautenschlaeger, Hans Hasse
Article
Engineering, Chemical
Fabian Jirasek, Jakob Burger, Hans Hasse
Article
Engineering, Chemical
Dan Vasiliu, Elmar Kessler, Erik von Harbou, Hans Hasse
CHEMICAL ENGINEERING RESEARCH & DESIGN
(2020)
Article
Thermodynamics
Daniel Bellaire, Hendrik Kiepfer, Kerstin Muennemann, Hans Hasse
JOURNAL OF CHEMICAL AND ENGINEERING DATA
(2020)
Article
Thermodynamics
Alexander Keller, Irenaus Wlokas, Maximilian Kohns, Hans Hasse
JOURNAL OF CHEMICAL AND ENGINEERING DATA
(2020)
Article
Biochemical Research Methods
Anne Friebel, Thomas Specht, Erik von Harbou, Kerstin Muennemann, Hans Hasse
JOURNAL OF MAGNETIC RESONANCE
(2020)
Article
Chemistry, Physical
Fabian Jirasek, Rodrigo A. S. Alves, Julie Damay, Robert A. Vandermeulen, Robert Bamler, Michael Bortz, Stephan Mandt, Marius Kloft, Hans Hasse
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2020)
Article
Chemistry, Physical
Simon Stephan, Hans Hasse
Article
Engineering, Chemical
Nadia Galeotti, Eva Hackemann, Fabian Jirasek, Hans Hasse
SEPARATION AND PURIFICATION TECHNOLOGY
(2020)
Article
Engineering, Multidisciplinary
Felix Diewald, Martin P. Lautenschlaeger, Simon Stephan, Kai Langenbach, Charlotte Kuhn, Steffen Seckler, Hans-Joachim Bungartz, Hans Hasse, Ralf Mueller
COMPUTER METHODS IN APPLIED MECHANICS AND ENGINEERING
(2020)
Article
Physics, Fluids & Plasmas
Simon Stephan, Hans Hasse
Article
Thermodynamics
J. N. Zappey, E. E. Moore, O. Benes, J. -c. Griveau, R. J. M. Konings
Summary: In this study, the heat properties of technetium metal were measured and analyzed using various thermal measurement methods, including its superconductivity, zero-degree Debye temperature, electronic heat capacity coefficient, and the standard entropy of the superconducting state.
JOURNAL OF CHEMICAL THERMODYNAMICS
(2024)
Article
Thermodynamics
Pengshuai Zhang, Jixiu Deng, Xiaoyu Jiang, Liang Xu, Yu Huang, Han Sun, Mi Gao, Xianghan Wang, Yulong Gao, Kangning Fan, Lu Zhang, Shuoye Yang
Summary: In this study, the solubility of daminozide in twelve neat solvents was determined using the gravimetrical method. Various models were employed to analyze the experimental solubility, and the miscibility of daminozide in the selected solvents was discussed based on Hansen solubility parameters. The results showed that the dissolution mechanism of daminozide in all solvents was entropy-driven.
JOURNAL OF CHEMICAL THERMODYNAMICS
(2024)
Article
Thermodynamics
Jinju Ma, Hao Wu, Dongxu Yi, Wei Liu, Xinding Yao, Tao Li, Baozeng Ren
Summary: In this study, the solubility and compatibility of Agomelatine in different solvents were investigated through experimental and simulation methods. The results showed that Agomelatine forms more stable hydrogen bonds with alcohol solvents compared to other ester solvents. Additionally, the study analyzed the acidity and basicity characteristics of Agomelatine as well as the reasons for differences in solubility.
JOURNAL OF CHEMICAL THERMODYNAMICS
(2024)
Article
Thermodynamics
Angelica V. Sharapova, Marina V. Ol'khovich, Svetlana V. Blokhina
Summary: This study determined the key physico-chemical properties of cardiovascular carvedilol (CVD) in terms of solubility and distribution coefficients in modeling solvents and biphasic systems. The results showed that the solubility of CVD varied significantly depending on the solvent and pH conditions, and the dissolution process deviated from ideality in saturated solutions.
JOURNAL OF CHEMICAL THERMODYNAMICS
(2024)
Article
Thermodynamics
Wenxi Song, Na Wang, Mingzhe Tan, Meng Wang, Xin Huang, Ting Wang, Hongxun Hao
Summary: The solubility and thermodynamic behavior of climbazole in different solvents were investigated in this study. The results showed that solubility is influenced by temperature and solvent properties. Furthermore, the solvent effect was evaluated and the molecular mechanism behind the solubility behavior was revealed using solvation energy relationship models and molecular simulation methods.
JOURNAL OF CHEMICAL THERMODYNAMICS
(2024)
Article
Thermodynamics
Yuqi Su, Weijie Jia, Junshuai Chen, Songtao Cao, Maogang He, Ying Zhang
Summary: This paper presents a novel measurement method based on the finite volume method (FVM) for measuring the concentration-dependent mutual diffusion coefficient D(C) in binary solution. The measurement principle was derived by integrating Fick's second law and establishing discretization equation. The method was validated through experiments and a semi-empirical correlation was built to study the temperature and concentration influences on the diffusion coefficient D.
JOURNAL OF CHEMICAL THERMODYNAMICS
(2024)
Article
Thermodynamics
Bo Tang, Xiaoyu Yao, Xueqiang Dong, Bowen Sheng, Yanxing Zhao, Jun Shen, Maoqiong Gong
Summary: In this study, metal-bellows variable volumetry was used to measure the saturated vapor pressures and critical parameters of R1234ze(Z) and R1336mzz(Z). New vapor pressure correlations were formulated based on the obtained data. The low uncertainties of the measured values indicate the reliability and reproducibility of the data. The results provide important thermophysical data for the use and optimization of R1234ze(Z) and R1336mzz(Z) in HTHP systems.
JOURNAL OF CHEMICAL THERMODYNAMICS
(2024)
Article
Thermodynamics
Vivek Pathania, Ankita Garg, Navneet Kaur, Neha
Summary: The interaction between Isoniazid and beta-cyclodextrin in solutions was investigated to understand the molecular interactions between different components. The results showed that the interaction between Isoniazid and beta-cyclodextrin affected the volume and compressibility of the solutions, and the hydration behavior of Isoniazid in the solutions was influenced by the cosolvent.
JOURNAL OF CHEMICAL THERMODYNAMICS
(2024)
Article
Thermodynamics
Mauricio Vega-Teijido, Marc E. Segovia, Martina Kieninger, Oscar N. Ventura
Summary: A composite chemical model, SVECV-f12, has been developed to accurately reproduce barrier heights of hydrocarbon species. The model successfully corrects systematic errors between experimental and theoretical values and is used for predicting formation enthalpies and hydrogenation/isomerization enthalpies.
JOURNAL OF CHEMICAL THERMODYNAMICS
(2024)
Article
Thermodynamics
Kemal Ozcan, Aylin Boztepe, Erdog an Tarcan, Cagatay Tasdemirci
Summary: In this study, the enthalpy of combustion of methane, the main component of natural gas, was measured using a reference gas calorimeter. The experimental results were compared with the values specified in ISO 6976:2016. The average enthalpy of combustion was determined as -55518.2 kJ kg-1 with an error of 0.2%.
JOURNAL OF CHEMICAL THERMODYNAMICS
(2024)
Article
Thermodynamics
Kouki Mekaru, Takuto Miyagi, Ayaka Mishima, Isami Uehara, Ryo Ohmura, Keita Yasuda
Summary: This study investigated the four-phase equilibrium conditions of carbon dioxide + cyclopentane double clathrate hydrate forming systems coexisting with sodium chloride aqueous solution or pure water. The results showed that the double clathrate hydrate is more thermodynamically stable than simple clathrate hydrates under a given sodium chloride concentration.
JOURNAL OF CHEMICAL THERMODYNAMICS
(2024)
Article
Thermodynamics
Yameng Wan, Xiaoqiang Gao, Ruiai Wang, Fanfan Li, Yanxun Li, Haixia He
Summary: This study evaluated the solubility of Iminostilbene (IMB) in twelve organic solvents and found that the solubility increased with temperature and showed a specific order in different solvents. The analysis of molecular interactions and solubility parameters provided insights into the dissolution behavior. The UNIQUAC model was used to fit the solubility data, and the thermodynamic properties of the mixing and dissolution processes were thoroughly evaluated.
JOURNAL OF CHEMICAL THERMODYNAMICS
(2024)
Article
Thermodynamics
Yinan Liu, Mingcheng Li, Chunying Zhu, Xiqun Gao, Youguang Ma
Summary: This study successfully prepared amine-based functionalized deep eutectic solvents and investigated the effects of solvent composition, water content, and temperature on the properties of the solvent through density and viscosity measurements. The results contribute to a better understanding of hydration and intermolecular interactions in deep eutectic solvents.
JOURNAL OF CHEMICAL THERMODYNAMICS
(2024)
Correction
Thermodynamics
Deepak Parmar, Kavitha Kumari, Naveen Kumar, Manju Rani, Mustapha Sahal, Sanjeev Maken
JOURNAL OF CHEMICAL THERMODYNAMICS
(2024)
Article
Thermodynamics
Ruslan N. Nagrimanov, Aliya R. Ibragimova, Boris N. Solomonov
Summary: In this study, the heats of solution of hydrocarbons and alcohols with 2-methyltetrahydrofuran are systematically analyzed. Structure-property relationships are developed to calculate the enthalpy of solvation of aliphatic alcohols in 2-methyltetrahydrofuran. Specific interactions in the alcohol-2-methyltetrahydrofuran systems are determined to better understand intermolecular interactions in 2-methyltetrahydrofuran solutions. This research provides valuable insights into the properties and energies of these interactions, facilitating the transition to more environmentally friendly solvents.
JOURNAL OF CHEMICAL THERMODYNAMICS
(2024)