Miscible State Research Articles

“Component flow” conditions and its effects on enhancing production of continental medium-to-high maturity shale oil

Based on the production curves, changes in hydrocarbon composition and quantities over time, and production systems from key trial production wells in lacustrine shale oil areas in China, fine fraction cutting experiments and molecular dynamics numerical simulations were conducted to investigate the effects of changes in shale oil composition on macroscopic fluidity. The concept of “component flow” for shale oil was proposed, and the formation mechanism and conditions of component flow were discussed. The research reveals findings in four aspects. First, a miscible state of light, medium and heavy hydrocarbons form within micropores/nanopores of underground shale according to similarity and intermiscibility principles, which make components with poor fluidity suspended as molecular aggregates in light and medium hydrocarbon solvents, such as heavy hydrocarbons, thereby decreasing shale oil viscosity and enhancing fluidity and outflows. Second, small-molecule aromatic hydrocarbons act as carriers for component flow, and the higher the content of gaseous and light hydrocarbons, the more conducive it is to inhibit the formation of larger aggregates of heavy components such as resin and asphalt, thus increasing their plastic deformation ability and bringing about better component flow efficiency. Third, higher formation temperatures reduce the viscosity of heavy hydrocarbon components, such as wax, thereby improving their fluidity. Fourth, preservation conditions, formation energy, and production system play important roles in controlling the content of light hydrocarbon components, outflow rate, and forming stable “component flow”, which are crucial factors for the optimal compatibility and maximum flow rate of multi-component hydrocarbons in shale oil. The component flow of underground shale oil is significant for improving single-well production and the cumulative ultimate recovery of shale oil.

Effect of cage and ladder configuration of polyphenyl silsesquioxane on mechanical performance and flame retardancy of ethylene–vinyl acetate composites

Improving the flame retardancy of ethylene–vinyl acetate copolymer (EVA) while maintaining its mechanical properties is critical for EVA applications. Polyhedral oligomeric silsesquioxane (POSS) can be a molecular structure designed to improve the flame retardancy of polymers while minimizing damage to the mechanical properties of polymers. In this study, two types of POSS with the same chemical structure but different spatial structures, which are named cage octaphenyl POSS (OPS) and ladder polyphenyl silsesquioxane (PPSQ) are prepared. The miscibility and dispersibility of these two types of POSS in the EVA matrix and their effects on mechanical properties, dielectric properties, and fire behaviors are also investigated. Compared to OPS-based EVA composite, the PPSQ with ladder structure has good miscibility and dispersion state in EVA matrix, obtaining better toughness, dielectric properties, and flame retardancy under cone calorimeter test. However, OPS-based EVA composite obtains superior flame retardancy than that of PPSQ-based EVA composite under small fire test (limiting oxygen index and UL-94 vertical burning tests). The mechanism of these two separate flame-retardant performances under various scenarios is explored. A novel flame-retardant model is proposed, as well as a new understanding of the role of POSS in EVA combustion. This study provides powerful guidance for obtaining EVA composites with excellent flame retardant and mechanical properties.

Permeability impairment and oil recovery changes in porous media due to asphaltenes deposition during natural gas injection: An experimental study

Injection of natural/associated gas is widely used as an efficient method of enhanced oil recovery in carbonate oil reservoirs in both miscible and immiscible conditions. Due to reservoir oil compositional changes by injected gas, asphaltenes instability may occur. In spite of the broad reported studies on gas injection process, the effect of miscible gas injection phenomenon on asphaltenes precipitation and deposition at reservoir conditions has not been well attended. The aim of this study is to recognize the effect of miscible and immiscible injection of natural gas on the asphaltenes deposition, permeability alteration and oil recovery. Additionally, the impact of different live and recombined oil samples on asphaltenes instability is investigated. Permeability alteration by the formation of asphaltenes is analyzed through the permeability measurements before and after gas flooding. Permeability reduction is found to be function of miscibility state, injection pressure and type of oil samples. It is observed that experiments conducted with live oil and at lower injection pressures show more permeability reduction. It is assumed an additional oil recovery associated with fluid path diversion caused by asphaltenes deposition in miscible and immiscible conditions. The miscible gas flooding causes the lower asphaltenes deposition and lower recovery enhancement. These effects are due to the fluid path diversion, nevertheless, miscible natural gas injection has high potential of oil recovery. Due to miscible bank development, the composite core along with higher injection pressure respect to minimum miscibility pressure shows higher recovery in comparison to the short core sample.

Performance evaluation of microemulsion acid for integrated acid fracturing in Middle Eastern carbonate reservoirs

Considering the characteristics of carbonate reservoirs in the Middle East, a low-viscosity microemulsion acid that can be prepared on site and has an appropriate retardation ability was developed. It was compared with four conventional acid systems (hydrochloric acid, gelled acid, emulsified acid and surfactant acid) through experiments of rotating disk, multistage acid fracturing and core flooding with CT scanning. The micro-etching characteristics and conductivity of fracture surfaces were clarified, and the variation of saturation field during water invasion and flowback of spent acid and the recovery of oil phase relative permeability were quantitatively evaluated. The study shows that the addition of negatively charged agent to the oil core of microemulsion acid can enhance its adsorption capacity on the limestone surface and significantly reduce the H+ mass transfer rate. Moreover, the negatively charged oil core is immiscible with the Ca2 + salt, so that the microemulsion acid can keep an overall structure not be damaged by Ca2 + salt generated during reaction, with adjustable adsorption capacity and stable microemulsion structure. With high vertical permeability along the fracture walls, the microemulsion acid can penetrate into deep fracture wall to form network etching, which helps greatly improve the permeability of reservoirs around the fractures and keep a high conductivity under a high closure pressure. The spent microemulsion acid is miscible with crude oil to form microemulsion. The microemulsion, oil and water are in a nearly miscible state, with basically no water block and low flowback resistance, the flowback of spent acid and the relative permeability of oil are recovered to a high degree.

Study on Interaction Characteristics of Injected Natural Gas and Crude Oil in a High Saturation Pressure and Low-Permeability Reservoir

Natural gas injection is considered for enhanced oil recovery (EOR) in a high saturation pressure reservoir in block B111 of the Dagang oilfield, China. To investigate the interaction characteristics of injected natural gas and crude oil, the ability for dissolution–diffusion and miscibility–extraction of natural gas in crude oil was tested using a piece of high-temperature and high-pressure PVT equipment. The physical properties and minimum miscible pressure (MMP) of the natural gas–crude oil system and their interaction during dynamic displacement were analyzed using the reservoir numerical simulation method. The results show the following: (1) Under static gas–oil contact conditions, natural gas has a significant dissolution–diffusion and miscibility–extraction effect on the crude oil in block B111, especially near the gas–oil interface. The content of condensate oil in gas phase is 10.14–18.53 wt%, while the content of dissolved gas in oil phase reaches 26.17–57.73 wt%; (2) Under the reservoir’s conditions, the saturated solubility of natural gas injected in crude oil is relatively small. The effect of swelling and viscosity reduction on crude oil is limited. As the pressure increases with more natural gas dissolved in crude oil, the phase state of crude oil can change from liquid to gas; accordingly, the density and viscosity of crude oil will be greatly reduced, presenting the characteristics of condensate gas; (3) The MMP of natural gas and crude oil is estimated to be larger than 40 MPa. It mainly forms a forward-contact evaporative gas drive in block B111. The miscible state depends on the maintenance level of formation pressure. The injected natural gas has a significant extraction effect on the medium and light components of crude oil. The content of C2–C15 in the gas phase at the gas drive front, as well as the content of CH4 and C16+ in the residual oil at the gas drive trailing edge, will increase markedly. Accordingly, the residual oil density and viscosity will also increase. These results have certain guiding significance for understanding gas flooding mechanisms and designing gas injection in block B111.

Nano-microscopic analysis on the interaction of new and old asphalt mortar in recycled asphalt mixture

Asphalt and fillers form asphalt mortar, which plays the role of bonding and filling in the asphalt mixture, and has a significant impact on the performance of the asphalt mixture. However, it is very necessary to fully study the interaction between old and new asphalt mortar in recycled asphalt mixture. In this study, molecular dynamics simulation software (Material Studio 8.0) was used to study the interface action of old and new asphalt mortar and the mechanical properties of the mixed old and new asphalt mortar. Quantification and characterization of solubility parameters, interaction energy, and mechanical properties from a microscopic perspective. In order to better demonstrate the simulation results, Fourier transform infrared spectroscopy (FTIR), scanning electron microscopy (SEM) and atomic force microscopy (AFM) were used to conduct microstructural tests to clarify the interaction of old and new asphalt mortar in recycled asphalt mixtures. The results show that at 190 °C, the solubility parameter difference of the old and new asphalt mortar molecular models and the interaction energy are in the best mixing state. At this temperature, the SEM surface morphology characterization is relatively good; the quantitative characterization of the functional groups also shows that the two have a good relationship. the miscible state. The mechanical properties of new and old asphalt mortars are described at the nano and micro scales, and the mechanical properties recover after miscibility. The above results show that it is a comprehensive and reliable method to conduct multi-scale research on the interaction of old and new asphalt mortar in recycled mixtures, and provide new ideas for the research of polymer materials.

Calculation of IFT in porous media in the presence of different gas and normal alkanes using the modified EoS

Gas injection can increase oil recovery because the gas–oil interfacial tension is less than the water–oil interfacial tension (IFT) and tends to zero in the miscibility state. However, little information has been provided on the gas–oil movement and penetration mechanisms in the fracture system at the porosity scale. The IFT of oil and gas in the porous medium changes and can control oil recovery. In this study, the IFT and the minimum miscibility pressure (MMP) are calculated using the cubic Peng-Robinson equation of state that has been modified using the mean pore radius and capillary pressure. The calculated IFT and MMP change with the pore radius and capillary pressure. To investigate the effect of a porous medium on the IFT during the injection of CH4, CO2, and N2 in the presence of n-alkanes and for validation, measured experimental values in references have been used. According to the results of this paper, changes in IFT vary in terms of pressure in the presence of different gases and, the proposed model has good accuracy for measuring the IFT and the MMP during the injection of hydrocarbon gases and CO2. In addition, as the average radius of the pores gets smaller, the interfacial tension tends to lower values. This effect is different with increasing the mean size of interstice in two different intervals. In the first interval, i.e. the Rp from 10 to 5000 nm, the IFT changes from 3 to 10.78 mN/m and in the second interval, i.e. the Rp from 5000 nm to infinity, the IFT changes from 10.78 to 10.85 mN/m. In other words, increasing the diameter of the porous medium to a certain threshold (i.e. 5000 nm) increases the IFT. As a rule, changes in IFT affected by exposure to a porous medium affect the values of the MMP. In general, IFT decreases in very fine porous media, causing miscibility at lower pressures.

Asphaltene deposition under different injection gases and reservoir conditions

Gas injection technology is frequently used to enhance oil recovery, and asphaltene deposition is inevitable during this process, except that different gases have different effects on asphaltene deposition. This paper studied the impact of varying injection gases (CO2, CH4, and N2) on asphaltene deposition characteristics under reservoir conditions. The results show that the effect of different injection gases on asphaltene deposition is differently related to the oil-gas miscibility state. In the injection of CO2 and CH4, asphaltene gradually precipitates and deposits on the fluid-carrying surfaces. When the oil and gas are completely miscible, asphaltene precipitation is prevented, and the crude oil reaches a new equilibrium state. CO2 has a solubility higher than that of CH4 with oil. It was found that the pressure at which CO2 mixes well with the oil can be reduced by 46–55%, the dissolution rate increased by 1.6 times, and the asphaltene precipitation amount also increased by 1.76 times compared to that with CH4 injection. Finally, it was found that the N2 injection has a minor influence on crude oil’s stability (minimal asphaltene deposition).

Similarity-based laboratory study of CO2 huff-n-puff in tight conglomerate cores

Tight conglomerate reservoirs are featured with extremely low permeability, strong heterogeneity and poor water injectivity. CO2 huff-n-puff has been considered a promising candidate to enhance oil recovery in tight reservoirs, owing to its advantages in reducing oil viscosity, improving mobility ratio, quickly replenishing formation pressure, and potentially achieving a miscible state. However, reliable in-house laboratory evaluation of CO2 huff-n-puff in natural conglomerate cores is challenging due to the inherent high formation pressure. In this study, we put forward an equivalent method based on the similarity of the miscibility index and Grashof number to acquire a lab-controllable pressure that features the flow characteristics of CO2 injection in a tight conglomerate reservoir. The impacts of depletion degree, pore volume injection of CO2 and soaking time on ultimate oil recovery in tight cores from the Mahu conglomerate reservoir were successfully tested at an equivalent pressure. Our results showed that oil recovery decreased with increased depletion degree while exhibiting a non-monotonic tendency (first increased and then decreased) with increased CO2 injection volume and soaking time. The lower oil recoveries under excess CO2 injection and soaking time were attributed to limited CO2 dissolution and asphaltene precipitation. This work guides secure and reliable laboratory design of CO2 huff-n-puff in tight reservoirs with high formation pressure.

Miscibility of dual-species Bose-Einstein condensates

<sec>The miscibility of quantum liquids is an interesting topic in many-body physics, which has been intensively investigated in <sup>3</sup>He-<sup>4</sup>He superfluids and the mixtures of ultracold atoms. In the context of dual species Bose-Einstein condensates, the mean-field description has been well established, according to which, the miscibility condition is density independent and determined only by the ratio of inter- and intra-species interaction strength. Recently, Nadion and Petrov proposed that [<ext-link ext-link-type="uri" xmlns:xlink="http://www.w3.org/1999/xlink" xlink:href="http://doi.org/10.1103/PhysRevLett.126.115301"><i>Phys. Rev. Lett.</i> <b>126</b> 115301</ext-link>], in the vicinity of the mixing-demixing threshold, quantum fluctuations play an important role to affect the equilibrium stability, and as a result, the partially miscible state emerges. This new phase of quantum matter opens up new perspectives to explore the beyond mean-field effect in ultracold atomic gases.</sec><sec>In this work, according to the equation of state taking the Lee-Huang-Yang correction into consideration, we investigate the ground state phase diagram of repulsive binary Bose mixtures in the interacting regime suffering a weak mean-field instability. Under the thermodynamic balance conditions, the phase boundaries between the immiscible state, partially miscible state and the homogenous state are determined. For the equal-mass case, these phase transitions only take place on condition that intra-species interactions are in an asymmetric form. In terms of interaction parameters, we explicitly derive analytical expressions of the phase boundaries, which are appropriate to describe the transitions in sufficiently dilute atomic gases. At the quantum critical point, where the partially miscible state terminates, the susceptibility tensor of the density response exhibits a divergent behavior. For the unequal-mass case, the beyond-mean-field equation of state cannot be written in a compact form, thus the determination of the phase boundaries is more involved. By expanding the Lee-Huang-Yang energy expression to the terms linear in the concentration of the minority species, we analytically obtain the threshold density for the partially miscible transition. We also propose a discriminant function, from which the configuration of the partially miscible state can be identified for the given mass ratio and interaction strength. Applications of these theoretical results to experimental systems, such as sodium, potassium, and rubidium gases, are presented.</sec>

The influence of CO2 huff and puff in tight oil reservoirs on pore structure characteristics and oil production from the microscopic scale

CO2 huff-n-puff can store CO2 and improve the recovery of tight oil reservoir. The asphaltene precipitation produced by the interaction of CO2 and oil causes damage to tight oil reservoirs. Based on the FE-SEM, CST, Nano-CT, HPMI and NMR, the microscopic classification standard is established. The experiments were carried out on different types of samples to quantitatively evaluate the influence of asphaltenes on pore structure and oil recovery. The results show that the asphaltene precipitation is positively correlated with huff-n-puff rounds and injection pressure. The asphaltene precipitation in type I sample is the highest. The asphaltene precipitation in type II sample is lower. The lowest asphaltene precipitation is in type III sample. In the CO2 immiscible state, asphaltenes are mainly deposited in larger pore throats. In the CO2 miscible state, the CO2 extraction effect is enhanced, the asphaltene deposits in the smaller pore throats. The overall oil recovery of the type II sample is the highest. The asphaltene precipitation, the blockage degree, the oil recovery interact and restrict each other. The oil recovery increases, the asphaltene increases, and the blockage degree of pore throats become more serious. Asphaltene precipitation causes damage to physical properties in reservoir, the porosity and permeability damage rates range from 1.35% to 3.17% and 2.17% to 8.24%, respectively. Asphaltene changes the wettability to lyophilic. The wettability reversal index ranges from 0.86% to 4.92%, which increases the seepage resistance of the oil phase. This research is novel for quantitative evaluation of reservoir microscopic pore throat characteristics and microscopic oil displacement mechanism by asphaltene precipitation formed during CO2 huff and puff in tight oil reservoirs. Also, the research results are of significance for optimizing the field development parameters.

Prediction of Minimum Miscibility Pressure for CO2 Flooding Based on Microscopic Pore-Throat Structure

CO2 flooding can effectively enhance the recovery of low-permeability reservoirs and realize CO2 geological storage. During the displacement process, the minimum miscible pressure (MMP) of CO2 and oil is an important parameter that affects the displacement effect and storage efficiency. However, the microscopic pore-throat structure of low-permeability reservoirs has significant influences on the fluids and phase behaviors. This paper presented a method to determine the miscible state of CO2 flooding based on the microscopic pore-throat structure. Firstly, a physic model was established to quantitatively characterize the microscopic pore-throat structure. Secondly, taking into consideration the P-R equation of state, the gas-liquid equilibrium in the narrow pore-throat was calculated. On this basis, a MMP prediction model was established correspongdingly by considering the multi-stage contact and mass transfer of CO2-oil. Finally, the results obtained by the proposed model were compared with the experimental results of CO2 flooding, and then the model was applied to the actual reservoir to predict plane distribution of MMP. The curves of MMP distribution and pressure drawdown between wells were combined to determine the position of miscible front and non-miscible area at different production stages. The results have shown that the MMP of core sample calculated by the model was 20.3 MPa, which was comparable to that of CO2 flooding experiment, e.g., 20 MPa, and thus indicatesd a high accuracy of the model. The MMP in the well control area of the Y29-101 well group was 19.8 MPa. During the unsteady flow stage, the miscible-phase front was 430 m from the injection well, while it was 310 m from the injection well during the stable flow stage. This method can accurately determine the specific phase distribution of CO2-oil in the formation, which is of great significance to promote the development of CO2 flooding and storage technology, improve the recovery of low permeability reservoirs, ensure energy supply and reduce carbon emission.

Using molecular dynamics and experiments to investigate the morphology and micro-structure of SBS modified asphalt binder

The study aimed at investigating the compatibility between styrene-butadiene-styrene (SBS) and asphalt, and the influence of SBS on morphology and micro-structure of asphalt through molecular dynamics (MD) and experiments method. In this work, the solubility parameter and molecular structure parameters of SBS modified asphalt were calculated by Materials Studio software, and its morphology of were investigated by microscope techniques. The results showed that solubility parameter of SBS and asphalt fluctuated along with simulation temperature, and the difference between SBS and asphalt is around 10.5 (J/cm3)0.5, which means these two materials cannot reach a total miscible state, and the scanning electron microscope (SEM) and fluorescence microscope (FM) results on the compatibility between asphalt and SBS corresponding with the simulation results. The interaction simulation on SBS and asphalt indicated that van der Waals interaction makes a significant contribution to non-bond interaction and plays a dominate role in the miscibility between asphalt and SBS. The structure parameters of radial distribution function (RDF) and radius of gyration showed that SBS had an a evident influence on the structure of asphalt molecule, for it increased the tightness of the asphalt and reinforced the ractility of branched-chain of asphalt components. Through AFM test results, we also found that SBS increased the bee-like phase of asphalt, and bring asphalt a better physical properties.

Cooperative progress of crystallization and spinodal decomposition in the blends of dissimilar polycarbonates

We investigated the structure development of the blends of bisphenol A polycarbonate (BPA-PC) and cyclohexane dimethylene polycarbonate (CHD-PC) during isothermal annealing from the miscible state. The crystallization of BPA-PC was found to be induced in the blends and small distorted crystallites developed in the interconnected structure by annealing within the immiscibility loop type phase boundary. The analysis for the time variation of the light scattering intensity revealed that 1) liquid-liquid phase separation occurred via spinodal decomposition without induction period, 2) crystallization is induced at early stage of the spinodal decomposition, 3) crystallization was largely accelerated in the blend composition in which the apparent diffusion coefficient for spinodal decomposition was larger, 4) crystallization progresses cooperatively with liquid-liquid phase separation at late stage of the spinodal decomposition. Owing to the cooperative progress, the glass transition of the blend estimated by DMA shifted to that of the neat component polymer during the crystallization.

Influence of Rashba spin–orbit and Rabi couplings on the spin-mixing and ground state phases of binary Bose–Einstein condensates

We study the miscibility properties and ground state phases of two-component spin–orbit (SO) coupled Bose–Einstein condensates (BECs) in a harmonic trap with strong axial confinement. By numerically solving the coupled Gross–Pitaevskii equations in the two-dimensional setting, we analyze the SO-coupled BECs for two possible permutations of the intra- and interspecies interactions, namely (i) weak intra- and weak interspecies interactions (W–W) and (ii) weak intra- and strong interspecies interactions (W–S). Considering the density overlap integral as a miscibility order parameter, we investigate the miscible–immiscible transition by varying the coupling parameters. We obtain various ground state phases, including plane wave, half quantum vortex, elongated plane wave, and different stripe wave patterns for W–W interactions. For finite Rabi coupling, an increase in SO coupling strength leads to the transition from the fully miscible to the partially miscible state. We also characterize different ground states in the coupling parameter space using the root mean square sizes of the condensate. The spin density vector for the ground state phases exhibits density, quadrupole and dipole like spin polarizations. For the W–S interaction, in addition to that observed in the W–W case, we witness semi vortex, mixed mode, and shell-like immiscible phases. We notice a wide variety of spin polarizations, such as density, dipole, quadrupole, symbiotic, necklace, and stripe-like patterns for the W–S case. A detailed investigation in the coupling parameter space indicates immiscible to miscible state phase transition upon varying the Rabi coupling for a fixed Rashba SO coupling. The critical Rabi coupling for the immiscible–miscible phase transition decreases upon increasing the SO coupling strength.

The repulsive Casimir-type forces in binary mixture of weakly interacting Bose–Einstein condensates gases

Within the framework of the quantum field theory (QFT) in the one-loop approximation, we investigate the Casimir-type effect in a mixture of two-component weakly interacting Bose-Einstein condensates (BECs) gases confined between two parallel plates at zero temperature. The Casimir-type forces in the miscible state of BECs for different boundary conditions (BCs) are discovered and compared to each other. The repulsive nature of the Casimir-type force in BECs is defined for the first time. Our calculations are finished in both grand canonical ensemble (GCE) and canonical ensemble (CE).

Research on Minimum Miscible Pressure Between Crude Oil and Supercritical Carbon Dioxide System in Ultra-Low Permeability Reservoir by the Long-Slim-Tube Experiment Method

Carbon dioxide (CO2) injection has become an important technology to enhance oil recovery in ultra-low permeability reservoirs. Compared with other CO2 flooding technologies, CO2 miscible flooding has a better development effect, and the minimum miscible pressure (MMP) is a key parameter to realize miscible flooding. Therefore, it is very important to accurately predict the MMP. The prediction methods of MMP generally include laboratory experiment method and theoretical calculation method. In this study, a long-slim-tube displacement experiment method was used to determine the MMP in the study area, and the experimental temperature and pressure were consistent with those under reservoir conditions. The research results show that the recovery ratio increased gradually with the increase of experimental pressure, but the increase amplitude gradually decreased. According to the relation curve between crude oil recovery ratio and experimental displacement pressure, when the experimental pressure was larger than 29.6 MPa, the recovery ratio did not increase significantly with the increase of displacement pressure, which indicates that the interfacial tension between crude oil and CO2 disappeared under this pressure and they reached a miscible state. It is speculated that the MMP between crude oil and CO2 system in the study area predicted by the long-slim-tube displacement experiment method was 29.6 MPa. The results of this study help to realize miscible flooding in ultra-low permeability reservoirs and thus enhance oil recovery.

Determination of Minimum Miscibility Pressure of CO2-Oil System: A Molecular Dynamics Study.

CO2 enhanced oil recovery (CO2-EOR) has become significantly crucial to the petroleum industry, in particular, CO2 miscible flooding can greatly improve the efficiency of EOR. Minimum miscibility pressure (MMP) is a vital factor affecting CO2 flooding, which determines the yield and economic benefit of oil recovery. Therefore, it is important to predict this property for a successful field development plan. In this study, a novel model based on molecular dynamics to determine MMP was developed. The model characterized a miscible state by calculating the ratio of CO2 and crude oil atoms that pass through the initial interface. The whole process was not affected by other external objective factors. We compared our model with several famous empirical correlations, and obtained satisfactory results—the relative errors were 8.53% and 13.71% for the two equations derived from our model. Furthermore, we found the MMPs predicted by different reference materials (i.e., CO2/crude oil) were approximately linear (R2 = 0.955). We also confirmed the linear relationship between MMP and reservoir temperature (TR). The correlation coefficient was about 0.15 MPa/K in the present study.

Visualization of Inter- and Intramolecular Interactions in Poly(3-hydroxybutyrate)/Poly(L-lactic acid) (PHB/PLLA) Blends During Isothermal Melt Crystallization Using Attenuated Total Reflection Fourier Transform infrared (ATR FT-IR) Spectroscopic Imaging.

Inter- and intramolecular interactions in multicomponent polymer systems influence their physical and chemical properties significantly and thus have implications on their synthesis and processing. In the present study, chemical images were obtained by plotting the peak position of a spectral band from the data sets generated using in situ attenuated total reflection Fourier transform infrared (ATR FT-IR) spectroscopic imaging. This approach was successfully used to visualize changes in intra- and intermolecular interactions in poly(3-hydroxybutyrate)/poly(L-lactic acid) (PHB/PLLA) blends during the isothermal melt crystallization. The peak position of ν(C＝O) band, which reflects the nature of the intermolecular interaction, shows that the intermolecular interactions between PHB and PLLA in the miscible state (1733 cm−1) changes to the inter- and intramolecular interaction (CH3⋯O=C, 1720 cm−1) within PHB crystal during the isothermal melt crystallization. Compared with spectroscopic images obtained by plotting the distribution of absorbance of spectral bands, which reveals the spatial distribution of blend components, the approach of plotting the peak position of a spectral band reflects the spatial distribution of different intra- and intermolecular interactions. With the process of isothermal melt-crystallization, the disappearance of the intermolecular interaction between PHB and PLLA and the appearance of the inter- and intramolecular interactions within the PHB crystal were both visualized through the images based on the observation of the band position. This work shows the potential of using in-situ ATR FT-IR spectroscopic imaging to visualize different types of inter- or intramolecular interactions between polymer molecules or between polymer and other additives in various types of multicomponent polymer systems.

Facile preparation of solid dispersions by dissolving drugs in N-vinyl-2-pyrrolidone and photopolymerization

Drug solid dispersions improve the dissolution of drugs in aqueous media for enhancement of oral bioavailability. The current preparation methods of drug solid dispersions mainly involve the evaporation of solvents or the melting of drugs and matrix. Here, we create a new and simple method for the preparation of drug solid dispersions by dissolving drugs in N-vinyl-2-pyrrolidone (NVP) and then NVP photopolymerization. A variety of drugs were explored to find whether they were suitable for this method and only some of them were soluble in NVP and formed transparent and hard solid dispersions, including fluconazole, ketoconazole, bifonazole, miconazole nitrate, sulfamethoxazole, aspirin, ibuprofen and artesunate. The formation of photocuring solid dispersions was highly related to the free radical scavenging function of drugs. Those drugs with strong free radical scavenging capability, including curcumin, resveratrol, quercetin, genistein, puerarin, nicergoline, olanzapine, indomethacin, did not form solid dispersions. They scavenged 2,2-diphenyl-1-picrylhydrazyl free radicals, which was demonstrated by ultraviolet spectrometry and electron spin resonance. The scavenging of free radicals stopped the chain polymerization of NVP. The Fourier transform infrared spectra, X-ray diffraction and differential scanning calorimetry of ibuprofen solid dispersions and artesunate solid dispersions showed the molecularly miscible state of the drugs and the hydrogen bonding between the drugs and polyvinyl pyrrolidone. The NVP-based solid dispersions of the two drugs had faster and more complete dissolution than their traditional solid dispersions. The NVP photopolymerization-based solid dispersion method provides a new choice for the production of solid dispersions in the research and industrial fields.